2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide

C14H18ClN3O2 — CID 61030452

IUPAC2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CC2CCNCC2)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-12-8-10(1-2-11(12)14(16)20)18-13(19)7-9-3-5-17-6-4-9/h1-2,8-9,17H,3-7H2,(H2,16,20)(H,18,19)
InChIKeyMXRPNYVIOJODHV-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.77
Rot. Bonds4

About 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide

2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide (PubChem CID 61030452) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
PubChem CID61030452
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CC2CCNCC2)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-12-8-10(1-2-11(12)14(16)20)18-13(19)7-9-3-5-17-6-4-9/h1-2,8-9,17H,3-7H2,(H2,16,20)(H,18,19)
InChIKeyMXRPNYVIOJODHV-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
CID 66429113
N-(3-chloro-4-methoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119675615
2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
CID 119718978
4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzamide;hydrochloride
CID 119711582
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 61158830
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
CID 79510866
methyl 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzoate;hydrochloride
CID 119794116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide?
The IUPAC name of 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide (CID 61030452) is 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide?
The canonical SMILES for 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide is NC(=O)c1ccc(NC(=O)CC2CCNCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide?
The InChIKey is MXRPNYVIOJODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-12-8-10(1-2-11(12)14(16)20)18-13(19)7-9-3-5-17-6-4-9/h1-2,8-9,17H,3-7H2,(H2,16,20)(H,18,19).
What are the key properties of 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide?
2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide has a molecular weight of 295.77 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide is sourced from PubChem (CID 61030452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).