2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide

C15H22ClN3O — CID 43736426

IUPAC2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
SMILESCCCN1CCC(Nc2ccc(C(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-7-19-8-5-11(6-9-19)18-12-3-4-13(15(17)20)14(16)10-12/h3-4,10-11,18H,2,5-9H2,1H3,(H2,17,20)
InChIKeyAFVHHSFGFBNKQS-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.73
Rot. Bonds5

About 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide

2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide (PubChem CID 43736426) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
PubChem CID43736426
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
SMILESCCCN1CCC(Nc2ccc(C(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-7-19-8-5-11(6-9-19)18-12-3-4-13(15(17)20)14(16)10-12/h3-4,10-11,18H,2,5-9H2,1H3,(H2,17,20)
InChIKeyAFVHHSFGFBNKQS-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide 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

2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide
CID 55157619
2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
CID 43736506
4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
CID 63356906

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide?
The IUPAC name of 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide (CID 43736426) is 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide is CCCN1CCC(Nc2ccc(C(N)=O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide?
The InChIKey is AFVHHSFGFBNKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-7-19-8-5-11(6-9-19)18-12-3-4-13(15(17)20)14(16)10-12/h3-4,10-11,18H,2,5-9H2,1H3,(H2,17,20).
What are the key properties of 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide?
2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide has a molecular weight of 295.81 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 43736426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).