(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide

C28H31N3O2 — CID 92591973

IUPAC(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C28H31N3O2/c1-2-29-27(33)28(20-22-12-14-24(15-13-22)23-9-4-3-5-10-23)16-8-18-31(21-28)26(32)19-25-11-6-7-17-30-25/h3-7,9-15,17H,2,8,16,18-21H2,1H3,(H,29,33)/t28-/m1/s1
InChIKeyYISLLFJXICVGSI-MUUNZHRXSA-N
MW441.58 g/mol
LogP4.28
Rot. Bonds7

About (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide

(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide (PubChem CID 92591973) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
PubChem CID92591973
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C28H31N3O2/c1-2-29-27(33)28(20-22-12-14-24(15-13-22)23-9-4-3-5-10-23)16-8-18-31(21-28)26(32)19-25-11-6-7-17-30-25/h3-7,9-15,17H,2,8,16,18-21H2,1H3,(H,29,33)/t28-/m1/s1
InChIKeyYISLLFJXICVGSI-MUUNZHRXSA-N
XLogP4.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 92592317
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
N-ethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 110245826
N-ethyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243848
N-methyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 110232458
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
(3S)-3-[(4-phenylphenyl)methyl]-1-propanoyl-N-prop-2-enylpiperidine-3-carboxamide
CID 92585106
(3R)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609435
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92592011
3-[(4-phenylphenyl)methyl]-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 110232491
(3R)-1-butanoyl-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586394

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide (CID 92591973) is (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2ccccn2)C1.
What is the InChIKey of (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
The InChIKey is YISLLFJXICVGSI-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-2-29-27(33)28(20-22-12-14-24(15-13-22)23-9-4-3-5-10-23)16-8-18-31(21-28)26(32)19-25-11-6-7-17-30-25/h3-7,9-15,17H,2,8,16,18-21H2,1H3,(H,29,33)/t28-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 92591973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).