4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide

C14H17Cl2N3O2 — CID 43328946

IUPAC4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide
SMILESO=C(CCCl)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-6-5-13(20)17-14(21)19-9-7-18(8-10-19)12-3-1-11(16)2-4-12/h1-4H,5-10H2,(H,17,20,21)
InChIKeyQGJFESKYPHQCGW-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.33
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide

4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide (PubChem CID 43328946) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide
PubChem CID43328946
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide
SMILESO=C(CCCl)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-6-5-13(20)17-14(21)19-9-7-18(8-10-19)12-3-1-11(16)2-4-12/h1-4H,5-10H2,(H,17,20,21)
InChIKeyQGJFESKYPHQCGW-UHFFFAOYSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide 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-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
N-(3-chloropropanoyl)-1,4-oxazepane-4-carboxamide
CID 62966590
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 137028397
4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide
CID 56762086
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
CID 119871471
4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11574139

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide (CID 43328946) is 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide is O=C(CCCl)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide?
The InChIKey is QGJFESKYPHQCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-6-5-13(20)17-14(21)19-9-7-18(8-10-19)12-3-1-11(16)2-4-12/h1-4H,5-10H2,(H,17,20,21).
What are the key properties of 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 43328946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).