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

C24H30N2O2 — CID 110243848

IUPACN-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CC)C1
InChIInChI=1S/C24H30N2O2/c1-3-22(27)26-15-9-14-24(18-26,23(28)25-4-2)17-19-10-8-13-21(16-19)20-11-6-5-7-12-20/h5-8,10-13,16H,3-4,9,14-15,17-18H2,1-2H3,(H,25,28)
InChIKeyTYJZFJNVDSZMQE-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.05
Rot. Bonds6

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

N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 110243848) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID110243848
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CC)C1
InChIInChI=1S/C24H30N2O2/c1-3-22(27)26-15-9-14-24(18-26,23(28)25-4-2)17-19-10-8-13-21(16-19)20-11-6-5-7-12-20/h5-8,10-13,16H,3-4,9,14-15,17-18H2,1-2H3,(H,25,28)
InChIKeyTYJZFJNVDSZMQE-UHFFFAOYSA-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

(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584975
(3R)-1-butanoyl-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586394
N-ethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232111
1-(2-cyclopentylacetyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232124
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591832
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
(3S)-3-[(4-phenylphenyl)methyl]-1-propanoyl-N-prop-2-enylpiperidine-3-carboxamide
CID 92585106
(3S)-1-(2,2-dimethylpropanoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592173
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 92592317
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide (CID 110243848) is N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide is CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CC)C1.
What is the InChIKey of N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is TYJZFJNVDSZMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-22(27)26-15-9-14-24(18-26,23(28)25-4-2)17-19-10-8-13-21(16-19)20-11-6-5-7-12-20/h5-8,10-13,16H,3-4,9,14-15,17-18H2,1-2H3,(H,25,28).
What are the key properties of N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide?
N-ethyl-3-[(3-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 N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 110243848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).