N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide

C21H24ClN3O2 — CID 3044759

IUPACN-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
SMILESO=C(CCl)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c22-14-20(26)23-18-8-6-17(7-9-18)21(27)24-19-10-12-25(13-11-19)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,23,26)(H,24,27)
InChIKeyVJZNNDMDNWSQME-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.26
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide

N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide (PubChem CID 3044759) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
PubChem CID3044759
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
SMILESO=C(CCl)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c22-14-20(26)23-18-8-6-17(7-9-18)21(27)24-19-10-12-25(13-11-19)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,23,26)(H,24,27)
InChIKeyVJZNNDMDNWSQME-UHFFFAOYSA-N
XLogP3.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)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

N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide
CID 91278506
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide (CID 3044759) is N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide is O=C(CCl)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide?
The InChIKey is VJZNNDMDNWSQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-14-20(26)23-18-8-6-17(7-9-18)21(27)24-19-10-12-25(13-11-19)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,23,26)(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide?
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide has a molecular weight of 385.90 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide is sourced from PubChem (CID 3044759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).