3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C110H205F4N25O8 — CID 158936398

IUPAC3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CCCN2)CC1.CC(C)N1CCC(NC(=O)N2CCC(C#N)C2)CC1.CC(C)N1CCC(NC(=O)N2CCC(C(F)(F)F)C2)CC1.CC(C)N1CCC(NC(=O)N2CCC(C)(C)C2)CC1.CC(C)N1CCC(NC(=O)N2CCC(F)C2)CC1.CC(C)N1CCC(NC(=O)N2CCCC2(C)C)CC1.CC(C)N1CCC(NC(=O)N2CCCC2)CC1.CC(C)N1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/2C15H29N3O.C14H24F3N3O.C14H24N4O.C13H24FN3O.3C13H25N3O/c1-12(2)17-8-5-13(6-9-17)16-14(19)18-10-7-15(3,4)11-18;1-12(2)17-10-6-13(7-11-17)16-14(19)18-9-5-8-15(18,3)4;1-10(2)19-7-4-12(5-8-19)18-13(21)20-6-3-11(9-20)14(15,16)17;1-11(2)17-7-4-13(5-8-17)16-14(19)18-6-3-12(9-15)10-18;1-10(2)16-7-4-12(5-8-16)15-13(18)17-6-3-11(14)9-17;1-10(2)16-8-5-11(6-9-16)15-13(17)12-4-3-7-14-12;2*1-11(2)15-9-5-12(6-10-15)14-13(17)16-7-3-4-8-16/h2*12-13H,5-11H2,1-4H3,(H,16,19);10-12H,3-9H2,1-2H3,(H,18,21);11-13H,3-8,10H2,1-2H3,(H,16,19);10-12H,3-9H2,1-2H3,(H,15,18);10-12,14H,3-9H2,1-2H3,(H,15,17);2*11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyJJRWJFIMIRXMHL-UHFFFAOYSA-N
MW2082.01 g/mol
LogP14.28
Rot. Bonds17

About 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 158936398) has the molecular formula C110H205F4N25O8 and a molecular weight of 2082.01 g/mol. Its IUPAC name is 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID158936398
Molecular FormulaC110H205F4N25O8
Molecular Weight2082.01 g/mol
Exact Mass2080.63
IUPAC Name3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CCCN2)CC1.CC(C)N1CCC(NC(=O)N2CCC(C#N)C2)CC1.CC(C)N1CCC(NC(=O)N2CCC(C(F)(F)F)C2)CC1.CC(C)N1CCC(NC(=O)N2CCC(C)(C)C2)CC1.CC(C)N1CCC(NC(=O)N2CCC(F)C2)CC1.CC(C)N1CCC(NC(=O)N2CCCC2(C)C)CC1.CC(C)N1CCC(NC(=O)N2CCCC2)CC1.CC(C)N1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/2C15H29N3O.C14H24F3N3O.C14H24N4O.C13H24FN3O.3C13H25N3O/c1-12(2)17-8-5-13(6-9-17)16-14(19)18-10-7-15(3,4)11-18;1-12(2)17-10-6-13(7-11-17)16-14(19)18-9-5-8-15(18,3)4;1-10(2)19-7-4-12(5-8-19)18-13(21)20-6-3-11(9-20)14(15,16)17;1-11(2)17-7-4-13(5-8-17)16-14(19)18-6-3-12(9-15)10-18;1-10(2)16-7-4-12(5-8-16)15-13(18)17-6-3-11(14)9-17;1-10(2)16-8-5-11(6-9-16)15-13(17)12-4-3-7-14-12;2*1-11(2)15-9-5-12(6-10-15)14-13(17)16-7-3-4-8-16/h2*12-13H,5-11H2,1-4H3,(H,16,19);10-12H,3-9H2,1-2H3,(H,18,21);11-13H,3-8,10H2,1-2H3,(H,16,19);10-12H,3-9H2,1-2H3,(H,15,18);10-12,14H,3-9H2,1-2H3,(H,15,17);2*11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyJJRWJFIMIRXMHL-UHFFFAOYSA-N
XLogP14.28
TPSA317.22 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.01
LogP ≤ 514.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
CID 103808776
N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 119339093
N-(1-propan-2-ylazetidin-3-yl)azetidine-2-carboxamide
CID 131007923
(2R)-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 93469163
[(2S)-pyrrolidin-2-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129365590
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 126752760
(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 81124488
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 158936398) is 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CC(C)N1CCC(NC(=O)C2CCCN2)CC1.CC(C)N1CCC(NC(=O)N2CCC(C#N)C2)CC1.CC(C)N1CCC(NC(=O)N2CCC(C(F)(F)F)C2)CC1.CC(C)N1CCC(NC(=O)N2CCC(C)(C)C2)CC1.CC(C)N1CCC(NC(=O)N2CCC(F)C2)CC1.CC(C)N1CCC(NC(=O)N2CCCC2(C)C)CC1.CC(C)N1CCC(NC(=O)N2CCCC2)CC1.CC(C)N1CCC(NC(=O)N2CCCC2)CC1.
What is the InChIKey of 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is JJRWJFIMIRXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H29N3O.C14H24F3N3O.C14H24N4O.C13H24FN3O.3C13H25N3O/c1-12(2)17-8-5-13(6-9-17)16-14(19)18-10-7-15(3,4)11-18;1-12(2)17-10-6-13(7-11-17)16-14(19)18-9-5-8-15(18,3)4;1-10(2)19-7-4-12(5-8-19)18-13(21)20-6-3-11(9-20)14(15,16)17;1-11(2)17-7-4-13(5-8-17)16-14(19)18-6-3-12(9-15)10-18;1-10(2)16-7-4-12(5-8-16)15-13(18)17-6-3-11(14)9-17;1-10(2)16-8-5-11(6-9-16)15-13(17)12-4-3-7-14-12;2*1-11(2)15-9-5-12(6-10-15)14-13(17)16-7-3-4-8-16/h2*12-13H,5-11H2,1-4H3,(H,16,19);10-12H,3-9H2,1-2H3,(H,18,21);11-13H,3-8,10H2,1-2H3,(H,16,19);10-12H,3-9H2,1-2H3,(H,15,18);10-12,14H,3-9H2,1-2H3,(H,15,17);2*11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 2082.01 g/mol, XLogP of 14.28, 17 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide;bis(N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide);N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 158936398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).