N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide

C24H32ClN3O — CID 174522507

IUPACN-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide
SMILESNCc1ccc(C2(NC(=O)CCCCCl)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32ClN3O/c25-15-5-4-8-23(29)27-24(22-11-9-20(18-26)10-12-22)13-16-28(17-14-24)19-21-6-2-1-3-7-21/h1-3,6-7,9-12H,4-5,8,13-19,26H2,(H,27,29)
InChIKeyVZKWUSYLSIQDLZ-UHFFFAOYSA-N
MW413.99 g/mol
LogP4.16
Rot. Bonds9

About N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide

N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide (PubChem CID 174522507) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide.

Molecular Properties

Compound NameN-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide
PubChem CID174522507
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC NameN-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide
SMILESNCc1ccc(C2(NC(=O)CCCCCl)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32ClN3O/c25-15-5-4-8-23(29)27-24(22-11-9-20(18-26)10-12-22)13-16-28(17-14-24)19-21-6-2-1-3-7-21/h1-3,6-7,9-12H,4-5,8,13-19,26H2,(H,27,29)
InChIKeyVZKWUSYLSIQDLZ-UHFFFAOYSA-N
XLogP4.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide 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

4-chloro-N-(4-phenylpiperidin-4-yl)butanamide;hydrochloride
CID 142638824
bis(1-benzyl-4-phenyl-N-(2-phenylethyl)piperidin-4-amine);oxalic acid
CID 173182081
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde
CID 174309870
N-[1-benzyl-4-(3-pyrrol-1-ylphenyl)piperidin-4-yl]acetamide
CID 143477247
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide?
The IUPAC name of N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide (CID 174522507) is N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide.
What is the SMILES notation for N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide?
The canonical SMILES for N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide is NCc1ccc(C2(NC(=O)CCCCCl)CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide?
The InChIKey is VZKWUSYLSIQDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O/c25-15-5-4-8-23(29)27-24(22-11-9-20(18-26)10-12-22)13-16-28(17-14-24)19-21-6-2-1-3-7-21/h1-3,6-7,9-12H,4-5,8,13-19,26H2,(H,27,29).
What are the key properties of N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide?
N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide has a molecular weight of 413.99 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(aminomethyl)phenyl]-1-benzylpiperidin-4-yl]-5-chloropentanamide is sourced from PubChem (CID 174522507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).