(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide

C24H30N2O2 — CID 92585170

IUPAC(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)CC)C1
InChIInChI=1S/C24H30N2O2/c1-3-22(27)26-16-10-15-24(18-26,23(28)25-4-2)17-20-13-8-9-14-21(20)19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,25,28)/t24-/m1/s1
InChIKeyPDYWQXTVWKSDRF-XMMPIXPASA-N
MW378.52 g/mol
LogP4.05
Rot. Bonds6

About (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide

(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 92585170) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID92585170
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)CC)C1
InChIInChI=1S/C24H30N2O2/c1-3-22(27)26-16-10-15-24(18-26,23(28)25-4-2)17-20-13-8-9-14-21(20)19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,25,28)/t24-/m1/s1
InChIKeyPDYWQXTVWKSDRF-XMMPIXPASA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232027
N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 110230945
(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92592029
N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232025
(3R)-1-propanoyl-N-prop-2-enyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 95850919
N-ethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231829
(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
(3S)-1-(2-cyclohexylacetyl)-N-ethyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591956
N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231946

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide (CID 92585170) is (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)CC)C1.
What is the InChIKey of (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is PDYWQXTVWKSDRF-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-22(27)26-16-10-15-24(18-26,23(28)25-4-2)17-20-13-8-9-14-21(20)19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,25,28)/t24-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 92585170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).