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

C14H18N2O4 — CID 61199921

IUPAC4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCN(C(=O)Nc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H18N2O4/c1-20-12-6-8-16(9-7-12)14(19)15-11-4-2-10(3-5-11)13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyLHUIPSANPAFNNP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.03
Rot. Bonds3

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

4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61199921) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61199921
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCN(C(=O)Nc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H18N2O4/c1-20-12-6-8-16(9-7-12)14(19)15-11-4-2-10(3-5-11)13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyLHUIPSANPAFNNP-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-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 103537365
5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61405887
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide
CID 48643522
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199543
4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61191051

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid (CID 61199921) is 4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid is COC1CCN(C(=O)Nc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is LHUIPSANPAFNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-12-6-8-16(9-7-12)14(19)15-11-4-2-10(3-5-11)13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
4-[(4-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-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61199921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).