4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid

C14H17ClN2O4 — CID 61199543

IUPAC4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCN(C(=O)Nc2cc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H17ClN2O4/c1-21-10-4-6-17(7-5-10)14(20)16-12-8-9(15)2-3-11(12)13(18)19/h2-3,8,10H,4-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyGJJOZUOTOUVLBJ-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.68
Rot. Bonds3

About 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid

4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61199543) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61199543
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCN(C(=O)Nc2cc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H17ClN2O4/c1-21-10-4-6-17(7-5-10)14(20)16-12-8-9(15)2-3-11(12)13(18)19/h2-3,8,10H,4-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyGJJOZUOTOUVLBJ-UHFFFAOYSA-N
XLogP2.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocane-1-carbonylamino)-4-chlorobenzoic acid
CID 61200042
5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61405887
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
4-chloro-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123101
methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 20907513
4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid
CID 63081988
5-chloro-2-[(4-methoxypiperidin-1-yl)sulfonylamino]benzoic acid
CID 167974624
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
1-[(5-chloro-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102649

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid (CID 61199543) is 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid is COC1CCN(C(=O)Nc2cc(Cl)ccc2C(=O)O)CC1.
What is the InChIKey of 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is GJJOZUOTOUVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-21-10-4-6-17(7-5-10)14(20)16-12-8-9(15)2-3-11(12)13(18)19/h2-3,8,10H,4-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid?
4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 312.75 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61199543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).