(3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide

C28H31N3O2 — CID 92592083

IUPAC(3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccc(C)cc3)cc2)CCCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C28H31N3O2/c1-3-30-27(33)28(15-5-17-31(20-28)26(32)25-6-4-16-29-19-25)18-22-9-13-24(14-10-22)23-11-7-21(2)8-12-23/h4,6-14,16,19H,3,5,15,17-18,20H2,1-2H3,(H,30,33)/t28-/m1/s1
InChIKeyQGHZWEZXEZNXHB-MUUNZHRXSA-N
MW441.58 g/mol
LogP4.66
Rot. Bonds6

About (3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide

(3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 92592083) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
PubChem CID92592083
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name(3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccc(C)cc3)cc2)CCCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C28H31N3O2/c1-3-30-27(33)28(15-5-17-31(20-28)26(32)25-6-4-16-29-19-25)18-22-9-13-24(14-10-22)23-11-7-21(2)8-12-23/h4,6-14,16,19H,3,5,15,17-18,20H2,1-2H3,(H,30,33)/t28-/m1/s1
InChIKeyQGHZWEZXEZNXHB-MUUNZHRXSA-N
XLogP4.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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)-3-[(4-phenylphenyl)methyl]-N-prop-2-enyl-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92548596
N-ethyl-1-(pyridine-3-carbonyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083678
N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110229783
(3R)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592458
(3S)-1-(cyclohexanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591906
N-methyl-1-(pyridine-3-carbonyl)-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232378
(3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609519
(3S)-N-ethyl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592493
(3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592235
(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592677

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide (CID 92592083) is (3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2ccc(-c3ccc(C)cc3)cc2)CCCN(C(=O)c2cccnc2)C1.
What is the InChIKey of (3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is QGHZWEZXEZNXHB-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-3-30-27(33)28(15-5-17-31(20-28)26(32)25-6-4-16-29-19-25)18-22-9-13-24(14-10-22)23-11-7-21(2)8-12-23/h4,6-14,16,19H,3,5,15,17-18,20H2,1-2H3,(H,30,33)/t28-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide?
(3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.66, 6 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-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92592083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).