[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone

C16H21Cl2N3O — CID 143238076

IUPAC[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O/c17-13-1-2-15(14(18)11-13)20-7-9-21(10-8-20)16(22)12-3-5-19-6-4-12/h1-2,11-12,19H,3-10H2
InChIKeyJMVBXTLBNDAZTP-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.64
Rot. Bonds2

About [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone

[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone (PubChem CID 143238076) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
PubChem CID143238076
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O/c17-13-1-2-15(14(18)11-13)20-7-9-21(10-8-20)16(22)12-3-5-19-6-4-12/h1-2,11-12,19H,3-10H2
InChIKeyJMVBXTLBNDAZTP-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone 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-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
[4-[4-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclopropylmethanone
CID 113080094
2-(4-chlorophenyl)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 119287935
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119316403
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 99817362
[4-(4-aminophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 70311502
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119307921
3-chloro-N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide
CID 23881997
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631405

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone (CID 143238076) is [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is JMVBXTLBNDAZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c17-13-1-2-15(14(18)11-13)20-7-9-21(10-8-20)16(22)12-3-5-19-6-4-12/h1-2,11-12,19H,3-10H2.
What are the key properties of [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone?
[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 342.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 143238076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).