1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C25H31N3O2 — CID 110231879

IUPAC1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C25H31N3O2/c1-18(2)27-24(30)25(12-6-14-28(17-25)23(29)19-10-11-19)15-20-7-3-4-9-22(20)21-8-5-13-26-16-21/h3-5,7-9,13,16,18-19H,6,10-12,14-15,17H2,1-2H3,(H,27,30)
InChIKeyLHOFYLYEJJNPGW-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.83
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110231879) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110231879
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C25H31N3O2/c1-18(2)27-24(30)25(12-6-14-28(17-25)23(29)19-10-11-19)15-20-7-3-4-9-22(20)21-8-5-13-26-16-21/h3-5,7-9,13,16,18-19H,6,10-12,14-15,17H2,1-2H3,(H,27,30)
InChIKeyLHOFYLYEJJNPGW-UHFFFAOYSA-N
XLogP3.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231737
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609338
(3R)-1-(3-methylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578913
(3R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548537
(3R)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579618
(3R)-1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579134
1-(2-cyclohexylacetyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231067
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231805
N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
CID 110231892
(3S)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583434
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609342
1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620731

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 110231879) is 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LHOFYLYEJJNPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18(2)27-24(30)25(12-6-14-28(17-25)23(29)19-10-11-19)15-20-7-3-4-9-22(20)21-8-5-13-26-16-21/h3-5,7-9,13,16,18-19H,6,10-12,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110231879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).