2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride

C18H27Cl2N3O2 — CID 119390511

IUPAC2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCNCC2)c1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-18(2,3)11-16(23)21-13-4-5-15(19)14(10-13)17(24)22-12-6-8-20-9-7-12;/h4-5,10,12,20H,6-9,11H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeySTELLHHZXWLHQQ-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.62
Rot. Bonds4

About 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride

2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119390511) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119390511
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCNCC2)c1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-18(2,3)11-16(23)21-13-4-5-15(19)14(10-13)17(24)22-12-6-8-20-9-7-12;/h4-5,10,12,20H,6-9,11H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeySTELLHHZXWLHQQ-UHFFFAOYSA-N
XLogP3.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
CID 154848114
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119612583
2-chloro-5-(3,3-dimethylbutanoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554824
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294
2-chloro-5-(3,3-dimethylbutanoylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126788691
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119525205
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
2-chloro-5-(3,3-dimethylbutanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119533243
3,3-dimethyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 53255531

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride (CID 119390511) is 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride is CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCNCC2)c1.Cl.
What is the InChIKey of 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is STELLHHZXWLHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.ClH/c1-18(2,3)11-16(23)21-13-4-5-15(19)14(10-13)17(24)22-12-6-8-20-9-7-12;/h4-5,10,12,20H,6-9,11H2,1-3H3,(H,21,23)(H,22,24);1H.
What are the key properties of 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride?
2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119390511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).