cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide

C119H217F8N31O16 — CID 160678171

About cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide

cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 160678171) has the molecular formula C119H217F8N31O16 and a molecular weight of 2490.23 g/mol. Its IUPAC name is cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide
• PubChem CID: 160678171
• Molecular Formula: C119H217F8N31O16
• Molecular Weight: 2490.23 g/mol
• Exact Mass: 2488.70
• IUPAC Name: cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide
• SMILES: C.C.C.CC(C)NC(=O)N1CC2CCC1C2.CC(C)NC(=O)N1CCC(F)(F)C1.CC(C)NC(=O)N1CCC2(CC2)C1.CC(C)NC(=O)N1CCCC(F)(F)C1.CC(C)NC(=O)N1CCCCC1.CC(C)NC(=O)NC1CC1(C)F.CC(C)NC(=O)NCc1ncccc1F.CC(C)NC(=O)NCc1ncn(C)n1.CC(C)NC(=O)OC1CC1.CC(C)NC(=O)OC1CC1(C)F.CC(C)NC(=O)OC1CCC(C)(F)C1.Cc1cc(CNC(=O)NC(C)C)n[nH]1.Cc1ccnc(CNC(=O)NC(C)C)n1
• InChI: InChI=1S/C10H14FN3O.C10H18FNO2.C10H16N4O.2C10H18N2O.C9H16F2N2O.C9H16N4O.C9H18N2O.C8H14F2N2O.C8H15FN2O.C8H14FNO2.C8H15N5O.C7H13NO2.3CH4/c1-7(2)14-10(15)13-6-9-8(11)4-3-5-12-9;1-7(2)12-9(13)14-8-4-5-10(3,11)6-8;1-7(2)13-10(15)12-6-9-11-5-4-8(3)14-9;1-7(2)11-10(13)12-6-8-3-4-9(12)5-8;1-8(2)11-9(13)12-6-5-10(7-12)3-4-10;1-7(2)12-8(14)13-5-3-4-9(10,11)6-13;1-6(2)11-9(14)10-5-8-4-7(3)12-13-8;1-8(2)10-9(12)11-6-4-3-5-7-11;1-6(2)11-7(13)12-4-3-8(9,10)5-12;1-5(2)10-7(12)11-6-4-8(6,3)9;1-5(2)10-7(11)12-6-4-8(6,3)9;1-6(2)11-8(14)9-4-7-10-5-13(3)12-7;1-5(2)8-7(9)10-6-3-4-6;;;/h3-5,7H,6H2,1-2H3,(H2,13,14,15);7-8H,4-6H2,1-3H3,(H,12,13);4-5,7H,6H2,1-3H3,(H2,12,13,15);7-9H,3-6H2,1-2H3,(H,11,13);8H,3-7H2,1-2H3,(H,11,13);7H,3-6H2,1-2H3,(H,12,14);4,6H,5H2,1-3H3,(H,12,13)(H2,10,11,14);8H,3-7H2,1-2H3,(H,10,12);6H,3-5H2,1-2H3,(H,11,13);5-6H,4H2,1-3H3,(H2,10,11,12);5-6H,4H2,1-3H3,(H,10,11);5-6H,4H2,1-3H3,(H2,9,11,14);5-6H,3-4H2,1-2H3,(H,8,9);3*1H4
• InChIKey: RNUHVPSJQYHHCV-UHFFFAOYSA-N
• XLogP: 19.83
• TPSA: 580.40 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2490.23
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide?

The IUPAC name of cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide (CID 160678171) is cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide.

What is the SMILES notation for cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide?

The canonical SMILES for cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide is C.C.C.CC(C)NC(=O)N1CC2CCC1C2.CC(C)NC(=O)N1CCC(F)(F)C1.CC(C)NC(=O)N1CCC2(CC2)C1.CC(C)NC(=O)N1CCCC(F)(F)C1.CC(C)NC(=O)N1CCCCC1.CC(C)NC(=O)NC1CC1(C)F.CC(C)NC(=O)NCc1ncccc1F.CC(C)NC(=O)NCc1ncn(C)n1.CC(C)NC(=O)OC1CC1.CC(C)NC(=O)OC1CC1(C)F.CC(C)NC(=O)OC1CCC(C)(F)C1.Cc1cc(CNC(=O)NC(C)C)n[nH]1.Cc1ccnc(CNC(=O)NC(C)C)n1.

What is the InChIKey of cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide?

The InChIKey is RNUHVPSJQYHHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O.C10H18FNO2.C10H16N4O.2C10H18N2O.C9H16F2N2O.C9H16N4O.C9H18N2O.C8H14F2N2O.C8H15FN2O.C8H14FNO2.C8H15N5O.C7H13NO2.3CH4/c1-7(2)14-10(15)13-6-9-8(11)4-3-5-12-9;1-7(2)12-9(13)14-8-4-5-10(3,11)6-8;1-7(2)13-10(15)12-6-9-11-5-4-8(3)14-9;1-7(2)11-10(13)12-6-8-3-4-9(12)5-8;1-8(2)11-9(13)12-6-5-10(7-12)3-4-10;1-7(2)12-8(14)13-5-3-4-9(10,11)6-13;1-6(2)11-9(14)10-5-8-4-7(3)12-13-8;1-8(2)10-9(12)11-6-4-3-5-7-11;1-6(2)11-7(13)12-4-3-8(9,10)5-12;1-5(2)10-7(12)11-6-4-8(6,3)9;1-5(2)10-7(11)12-6-4-8(6,3)9;1-6(2)11-8(14)9-4-7-10-5-13(3)12-7;1-5(2)8-7(9)10-6-3-4-6;;;/h3-5,7H,6H2,1-2H3,(H2,13,14,15);7-8H,4-6H2,1-3H3,(H,12,13);4-5,7H,6H2,1-3H3,(H2,12,13,15);7-9H,3-6H2,1-2H3,(H,11,13);8H,3-7H2,1-2H3,(H,11,13);7H,3-6H2,1-2H3,(H,12,14);4,6H,5H2,1-3H3,(H,12,13)(H2,10,11,14);8H,3-7H2,1-2H3,(H,10,12);6H,3-5H2,1-2H3,(H,11,13);5-6H,4H2,1-3H3,(H2,10,11,12);5-6H,4H2,1-3H3,(H,10,11);5-6H,4H2,1-3H3,(H2,9,11,14);5-6H,3-4H2,1-2H3,(H,8,9);3*1H4.

What are the key properties of cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide?

cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 2490.23 g/mol, XLogP of 19.83, 25 rotatable bonds, 19 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl N-propan-2-ylcarbamate;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide;(3-fluoro-3-methylcyclopentyl) N-propan-2-ylcarbamate;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;methane;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 160678171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).