1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C20H36F2N4O — CID 176790138

About 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 176790138) has the molecular formula C20H36F2N4O and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
• PubChem CID: 176790138
• Molecular Formula: C20H36F2N4O
• Molecular Weight: 386.53 g/mol
• Exact Mass: 386.29
• IUPAC Name: 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
• SMILES: CC(C)N1CCN(CC2CC2)C2(CCN(C(=O)N(C)C(C)C)CC2(F)F)C1
• InChI: InChI=1S/C20H36F2N4O/c1-15(2)23(5)18(27)25-9-8-19(20(21,22)14-25)13-24(16(3)4)10-11-26(19)12-17-6-7-17/h15-17H,6-14H2,1-5H3
• InChIKey: YEHGRRFKPYNMRL-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 30.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.53
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?

The IUPAC name of 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 176790138) is 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

What is the SMILES notation for 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?

The canonical SMILES for 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CC(C)N1CCN(CC2CC2)C2(CCN(C(=O)N(C)C(C)C)CC2(F)F)C1.

What is the InChIKey of 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?

The InChIKey is YEHGRRFKPYNMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36F2N4O/c1-15(2)23(5)18(27)25-9-8-19(20(21,22)14-25)13-24(16(3)4)10-11-26(19)12-17-6-7-17/h15-17H,6-14H2,1-5H3.

What are the key properties of 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?

1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 386.53 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 176790138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).