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

C21H24N2O3 — CID 122010895

IUPAC1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1cc(CNC(=O)N2CCC(C(=O)O)CC2)ccc1-c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15-13-16(7-8-19(15)17-5-3-2-4-6-17)14-22-21(26)23-11-9-18(10-12-23)20(24)25/h2-8,13,18H,9-12,14H2,1H3,(H,22,26)(H,24,25)
InChIKeyQDTYJFHSVOGTCU-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.67
Rot. Bonds4

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

1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122010895) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122010895
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1cc(CNC(=O)N2CCC(C(=O)O)CC2)ccc1-c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-15-13-16(7-8-19(15)17-5-3-2-4-6-17)14-22-21(26)23-11-9-18(10-12-23)20(24)25/h2-8,13,18H,9-12,14H2,1H3,(H,22,26)(H,24,25)
InChIKeyQDTYJFHSVOGTCU-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-3-carboxylic acid
CID 122010900
1-N-cyclopropyl-4-N-[(3-methyl-4-phenylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166226120
1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001837
1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122000164
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122004444
1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010210
1-[(3-ethylsulfanylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015109
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 122010895) is 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid is Cc1cc(CNC(=O)N2CCC(C(=O)O)CC2)ccc1-c1ccccc1.
What is the InChIKey of 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is QDTYJFHSVOGTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-13-16(7-8-19(15)17-5-3-2-4-6-17)14-22-21(26)23-11-9-18(10-12-23)20(24)25/h2-8,13,18H,9-12,14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 122010895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).