4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid

C14H18N2O4 — CID 102962894

IUPAC4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCCN(C(=O)Nc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C14H18N2O4/c1-20-12-3-2-8-16(9-12)14(19)15-11-6-4-10(5-7-11)13(17)18/h4-7,12H,2-3,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyUWDWHPWUOWAYOW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.03
Rot. Bonds3

About 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid

4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 102962894) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
PubChem CID102962894
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCCN(C(=O)Nc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C14H18N2O4/c1-20-12-3-2-8-16(9-12)14(19)15-11-6-4-10(5-7-11)13(17)18/h4-7,12H,2-3,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyUWDWHPWUOWAYOW-UHFFFAOYSA-N
XLogP2.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
CID 97270143
N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 103537365
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102963077
3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide
CID 56801108
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid (CID 102962894) is 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid is COC1CCCN(C(=O)Nc2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is UWDWHPWUOWAYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-12-3-2-8-16(9-12)14(19)15-11-6-4-10(5-7-11)13(17)18/h4-7,12H,2-3,8-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid?
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 102962894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).