N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide

C15H22ClN3O — CID 61417366

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H22ClN3O/c1-12(19-8-6-17-7-9-19)15(20)18(2)11-13-4-3-5-14(16)10-13/h3-5,10,12,17H,6-9,11H2,1-2H3
InChIKeyVPZOYNZCSWUYCK-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.59
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide

N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide (PubChem CID 61417366) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
PubChem CID61417366
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H22ClN3O/c1-12(19-8-6-17-7-9-19)15(20)18(2)11-13-4-3-5-14(16)10-13/h3-5,10,12,17H,6-9,11H2,1-2H3
InChIKeyVPZOYNZCSWUYCK-UHFFFAOYSA-N
XLogP1.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide 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-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
CID 116676134
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61439956
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
2-bromo-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 62855920
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 62979413
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 87015655
N-[(3-chlorophenyl)methyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-methylacetamide
CID 95326255

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide (CID 61417366) is N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide is CC(C(=O)N(C)Cc1cccc(Cl)c1)N1CCNCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is VPZOYNZCSWUYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-12(19-8-6-17-7-9-19)15(20)18(2)11-13-4-3-5-14(16)10-13/h3-5,10,12,17H,6-9,11H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 295.81 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 61417366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).