1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid

C21H24N2O3 — CID 122010900

IUPAC1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(CNC(=O)N2CCCC(C(=O)O)C2)ccc1-c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15-12-16(9-10-19(15)17-6-3-2-4-7-17)13-22-21(26)23-11-5-8-18(14-23)20(24)25/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyNCGXRYANDCBXDO-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.67
Rot. Bonds4

About 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid

1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122010900) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122010900
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(CNC(=O)N2CCCC(C(=O)O)C2)ccc1-c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15-12-16(9-10-19(15)17-6-3-2-4-7-17)13-22-21(26)23-11-5-8-18(14-23)20(24)25/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyNCGXRYANDCBXDO-UHFFFAOYSA-N
XLogP3.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010895
1-[[4-(2-cyanophenyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122008904
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
1-N-cyclopropyl-4-N-[(3-methyl-4-phenylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166226120
1-[[4-(1,1-difluoroethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015342
1-[2-(4-chloro-3-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122014927
1-[(4-cyanophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62269126
(3S)-1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81123402
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 87002970

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 122010900) is 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid is Cc1cc(CNC(=O)N2CCCC(C(=O)O)C2)ccc1-c1ccccc1.
What is the InChIKey of 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is NCGXRYANDCBXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-12-16(9-10-19(15)17-6-3-2-4-7-17)13-22-21(26)23-11-5-8-18(14-23)20(24)25/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 352.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122010900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).