N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride

C18H28Cl2N4O2 — CID 120981664

IUPACN-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride
SMILESCCCN(CCC(=O)N1CCNCC1)CC(=O)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H27ClN4O2.ClH/c1-2-10-22(11-7-18(25)23-12-8-20-9-13-23)14-17(24)21-16-5-3-15(19)4-6-16;/h3-6,20H,2,7-14H2,1H3,(H,21,24);1H
InChIKeyHBSKCWKOBONWIN-UHFFFAOYSA-N
MW403.35 g/mol
LogP2.23
Rot. Bonds8

About N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride

N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride (PubChem CID 120981664) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride
PubChem CID120981664
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC NameN-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride
SMILESCCCN(CCC(=O)N1CCNCC1)CC(=O)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H27ClN4O2.ClH/c1-2-10-22(11-7-18(25)23-12-8-20-9-13-23)14-17(24)21-16-5-3-15(19)4-6-16;/h3-6,20H,2,7-14H2,1H3,(H,21,24);1H
InChIKeyHBSKCWKOBONWIN-UHFFFAOYSA-N
XLogP2.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;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

2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 120980373
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
CID 120980364
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119915334
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057
N-(4-chlorophenyl)-4-[3-(dimethylamino)propanoyl]piperazine-1-carboxamide
CID 110422231
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride (CID 120981664) is N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride is CCCN(CCC(=O)N1CCNCC1)CC(=O)Nc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride?
The InChIKey is HBSKCWKOBONWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2.ClH/c1-2-10-22(11-7-18(25)23-12-8-20-9-13-23)14-17(24)21-16-5-3-15(19)4-6-16;/h3-6,20H,2,7-14H2,1H3,(H,21,24);1H.
What are the key properties of N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride?
N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride has a molecular weight of 403.35 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride is sourced from PubChem (CID 120981664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).