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

C24H28N2O2 — CID 110245977

IUPAC1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccccc2CC2(C(N)=O)CCCN(C(=O)C3CC3)C2)cc1
InChIInChI=1S/C24H28N2O2/c1-17-7-9-18(10-8-17)21-6-3-2-5-20(21)15-24(23(25)28)13-4-14-26(16-24)22(27)19-11-12-19/h2-3,5-10,19H,4,11-16H2,1H3,(H2,25,28)
InChIKeyWEMQAXGASGFDGS-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.71
Rot. Bonds5

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

1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 110245977) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID110245977
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2ccccc2CC2(C(N)=O)CCCN(C(=O)C3CC3)C2)cc1
InChIInChI=1S/C24H28N2O2/c1-17-7-9-18(10-8-17)21-6-3-2-5-20(21)15-24(23(25)28)13-4-14-26(16-24)22(27)19-11-12-19/h2-3,5-10,19H,4,11-16H2,1H3,(H2,25,28)
InChIKeyWEMQAXGASGFDGS-UHFFFAOYSA-N
XLogP3.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92558381
(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609342
1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232048
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
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609672
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231805
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609338
1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805550

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide (CID 110245977) is 1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide is Cc1ccc(-c2ccccc2CC2(C(N)=O)CCCN(C(=O)C3CC3)C2)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WEMQAXGASGFDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-7-9-18(10-8-17)21-6-3-2-5-20(21)15-24(23(25)28)13-4-14-26(16-24)22(27)19-11-12-19/h2-3,5-10,19H,4,11-16H2,1H3,(H2,25,28).
What are the key properties of 1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110245977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).