N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide

C24H27N5O3 — CID 136854647

IUPACN-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C24H27N5O3/c1-2-25-22(31)24(12-14-29(15-13-24)21(30)20-26-23(32)28-27-20)16-18-10-6-7-11-19(18)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,25,31)(H2,26,27,28,32)
InChIKeyVPMIFURYORJPOX-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide

N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 136854647) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
PubChem CID136854647
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C24H27N5O3/c1-2-25-22(31)24(12-14-29(15-13-24)21(30)20-26-23(32)28-27-20)16-18-10-6-7-11-19(18)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,25,31)(H2,26,27,28,32)
InChIKeyVPMIFURYORJPOX-UHFFFAOYSA-N
XLogP2.37
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethylbutanoyl)-N-ethyl-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129459434
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92592029
(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592364
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448
N-ethyl-4-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 129454899
(3R)-N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 136735194
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592198
N-ethyl-1-(2-methylpyrazole-3-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232025
1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110247282
(3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592202
1-(2-cyclopentylacetyl)-N-ethyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620728

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide (CID 136854647) is N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VPMIFURYORJPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-2-25-22(31)24(12-14-29(15-13-24)21(30)20-26-23(32)28-27-20)16-18-10-6-7-11-19(18)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,25,31)(H2,26,27,28,32).
What are the key properties of N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide?
N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 136854647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).