4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid

C15H18N2O4 — CID 124674802

IUPAC4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
SMILESCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H18N2O4/c1-16-13(18)12-3-2-8-17(9-12)14(19)10-4-6-11(7-5-10)15(20)21/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)(H,20,21)/t12-/m0/s1
InChIKeyFEOPHFOFVJSRPD-LBPRGKRZSA-N
MW290.32 g/mol
LogP0.98
Rot. Bonds3

About 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid

4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid (PubChem CID 124674802) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
PubChem CID124674802
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
SMILESCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H18N2O4/c1-16-13(18)12-3-2-8-17(9-12)14(19)10-4-6-11(7-5-10)15(20)21/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)(H,20,21)/t12-/m0/s1
InChIKeyFEOPHFOFVJSRPD-LBPRGKRZSA-N
XLogP0.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854325
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
CID 92729209
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
1-benzoyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110000883
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid (CID 124674802) is 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid is CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid?
The InChIKey is FEOPHFOFVJSRPD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-13(18)12-3-2-8-17(9-12)14(19)10-4-6-11(7-5-10)15(20)21/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)(H,20,21)/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid?
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 124674802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).