1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C24H31N3O2 — CID 92620731

IUPAC1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)CC1
InChIInChI=1S/C24H31N3O2/c1-4-22(28)27-14-11-24(12-15-27,23(29)26-18(2)3)16-19-8-5-6-10-21(19)20-9-7-13-25-17-20/h5-10,13,17-18H,4,11-12,14-16H2,1-3H3,(H,26,29)
InChIKeyXYVXSNXLWWBIGB-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.83
Rot. Bonds6

About 1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 92620731) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID92620731
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)CC1
InChIInChI=1S/C24H31N3O2/c1-4-22(28)27-14-11-24(12-15-27,23(29)26-18(2)3)16-19-8-5-6-10-21(19)20-9-7-13-25-17-20/h5-10,13,17-18H,4,11-12,14-16H2,1-3H3,(H,26,29)
InChIKeyXYVXSNXLWWBIGB-UHFFFAOYSA-N
XLogP3.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805544
1-(2-cyclohexylacetyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231067
(3R)-1-(3-methylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578913
1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231879
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580032
(3R)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579618
1-(2-cyclopentylacetyl)-N-ethyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620728
(3S)-N-benzyl-1-propanoyl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92585013
(3R)-1-(3-fluorobenzoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579909
N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
CID 110231892
4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 110083648
1-(2-methoxyacetyl)-N-propan-2-yl-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083745

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 92620731) is 1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is CCC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)CC1.
What is the InChIKey of 1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XYVXSNXLWWBIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-22(28)27-14-11-24(12-15-27,23(29)26-18(2)3)16-19-8-5-6-10-21(19)20-9-7-13-25-17-20/h5-10,13,17-18H,4,11-12,14-16H2,1-3H3,(H,26,29).
What are the key properties of 1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 393.53 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-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92620731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).