(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide

C25H30N2O2 — CID 92558381

IUPAC(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C25H30N2O2/c1-18-8-10-19(11-9-18)22-7-4-3-6-21(22)16-25(24(29)26-2)14-5-15-27(17-25)23(28)20-12-13-20/h3-4,6-11,20H,5,12-17H2,1-2H3,(H,26,29)/t25-/m1/s1
InChIKeyGCEOCKMGVOAYGG-RUZDIDTESA-N
MW390.53 g/mol
LogP3.97
Rot. Bonds5

About (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide

(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 92558381) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID92558381
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C25H30N2O2/c1-18-8-10-19(11-9-18)22-7-4-3-6-21(22)16-25(24(29)26-2)14-5-15-27(17-25)23(28)20-12-13-20/h3-4,6-11,20H,5,12-17H2,1-2H3,(H,26,29)/t25-/m1/s1
InChIKeyGCEOCKMGVOAYGG-RUZDIDTESA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110245977
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609342
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609672
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609338
(3S)-N-methyl-1-[2-(4-methylphenyl)acetyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92557629
1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231737
1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231879
N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231777
N-methyl-3-[(2-phenylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230856
(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92609663
(3R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548537

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide (CID 92558381) is (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GCEOCKMGVOAYGG-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30N2O2/c1-18-8-10-19(11-9-18)22-7-4-3-6-21(22)16-25(24(29)26-2)14-5-15-27(17-25)23(28)20-12-13-20/h3-4,6-11,20H,5,12-17H2,1-2H3,(H,26,29)/t25-/m1/s1.
What are the key properties of (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92558381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).