2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid

C17H24ClN3O4 — CID 22080716

IUPAC2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)CC1
InChIInChI=1S/C17H24ClN3O4/c1-3-14(17(23)24)21-6-4-10(5-7-21)20-16(22)11-8-12(18)13(19)9-15(11)25-2/h8-10,14H,3-7,19H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyUCIFAJXLEOAMMW-UHFFFAOYSA-N
MW369.85 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid

2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid (PubChem CID 22080716) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
PubChem CID22080716
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC Name2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)CC1
InChIInChI=1S/C17H24ClN3O4/c1-3-14(17(23)24)21-6-4-10(5-7-21)20-16(22)11-8-12(18)13(19)9-15(11)25-2/h8-10,14H,3-7,19H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyUCIFAJXLEOAMMW-UHFFFAOYSA-N
XLogP1.99
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
CID 3044767
methyl 5-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]hexanoate
CID 142628583
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 119701825
4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 139786696
4-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892106
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 119782044
4-amino-5-chloro-N-[1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-yl]-2-methoxybenzamide;hydrate;hydrochloride
CID 70607387
4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
CID 119793328
4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide
CID 13121444
4-amino-5-chloro-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 119899547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid?
The IUPAC name of 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid (CID 22080716) is 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid is CCC(C(=O)O)N1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)CC1.
What is the InChIKey of 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid?
The InChIKey is UCIFAJXLEOAMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4/c1-3-14(17(23)24)21-6-4-10(5-7-21)20-16(22)11-8-12(18)13(19)9-15(11)25-2/h8-10,14H,3-7,19H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid?
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid has a molecular weight of 369.85 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 22080716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).