1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C24H31N3O — CID 110231835

IUPAC1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(CC2CC2)C1
InChIInChI=1S/C24H31N3O/c1-2-26-23(28)24(12-6-14-27(18-24)17-19-10-11-19)15-20-7-3-4-9-22(20)21-8-5-13-25-16-21/h3-5,7-9,13,16,19H,2,6,10-12,14-15,17-18H2,1H3,(H,26,28)
InChIKeyLKXMRRUAZXDBAX-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.92
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110231835) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110231835
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(CC2CC2)C1
InChIInChI=1S/C24H31N3O/c1-2-26-23(28)24(12-6-14-27(18-24)17-19-10-11-19)15-20-7-3-4-9-22(20)21-8-5-13-25-16-21/h3-5,7-9,13,16,19H,2,6,10-12,14-15,17-18H2,1H3,(H,26,28)
InChIKeyLKXMRRUAZXDBAX-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-ethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 124910036
(3R)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592103
(3S)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592104
(3R)-N-ethyl-1-[(3-methoxyphenyl)methyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592155
N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231829
1-(2-cyclopentylacetyl)-N-ethyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620728
N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231842
(3S)-N-ethyl-1-(6-oxo-1H-pyridazine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592040
(3S)-1-(2-cyclohexylacetyl)-N-ethyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591956
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609338
(3R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548537
1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231879

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 110231835) is 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LKXMRRUAZXDBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-2-26-23(28)24(12-6-14-27(18-24)17-19-10-11-19)15-20-7-3-4-9-22(20)21-8-5-13-25-16-21/h3-5,7-9,13,16,19H,2,6,10-12,14-15,17-18H2,1H3,(H,26,28).
What are the key properties of 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110231835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).