4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride

C16H23Cl2N3O2 — CID 119464126

IUPAC4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-11(15(21)19-10-12-3-2-8-18-9-12)20-16(22)13-4-6-14(17)7-5-13;/h4-7,11-12,18H,2-3,8-10H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyUFMDLSAGLWZCOO-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.00
Rot. Bonds5

About 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride

4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride (PubChem CID 119464126) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride
PubChem CID119464126
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-11(15(21)19-10-12-3-2-8-18-9-12)20-16(22)13-4-6-14(17)7-5-13;/h4-7,11-12,18H,2-3,8-10H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyUFMDLSAGLWZCOO-UHFFFAOYSA-N
XLogP2.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;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

5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119463754
4-chloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 120948849
4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119554960
4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119389974
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-chloro-N-[3-methyl-1-oxo-1-(piperidin-3-ylamino)butan-2-yl]benzamide
CID 119428842
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride (CID 119464126) is 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride is CC(NC(=O)c1ccc(Cl)cc1)C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride?
The InChIKey is UFMDLSAGLWZCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-11(15(21)19-10-12-3-2-8-18-9-12)20-16(22)13-4-6-14(17)7-5-13;/h4-7,11-12,18H,2-3,8-10H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride?
4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119464126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).