[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride

C17H23Cl2N3O2 — CID 119278834

IUPAC[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(Cl)c1)N1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C17H22ClN3O2.ClH/c18-14-5-3-4-13(12-14)16(22)20-8-10-21(11-9-20)17(23)15-6-1-2-7-19-15;/h3-5,12,15,19H,1-2,6-11H2;1H
InChIKeyHJKMWWMRNDBPQF-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.19
Rot. Bonds2

About [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride

[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119278834) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
PubChem CID119278834
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(Cl)c1)N1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C17H22ClN3O2.ClH/c18-14-5-3-4-13(12-14)16(22)20-8-10-21(11-9-20)17(23)15-6-1-2-7-19-15;/h3-5,12,15,19H,1-2,6-11H2;1H
InChIKeyHJKMWWMRNDBPQF-UHFFFAOYSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;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

[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703840
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119747879
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120625408
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119747850
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866
[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689038
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 119032218

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride (CID 119278834) is [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride is Cl.O=C(c1cccc(Cl)c1)N1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is HJKMWWMRNDBPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2.ClH/c18-14-5-3-4-13(12-14)16(22)20-8-10-21(11-9-20)17(23)15-6-1-2-7-19-15;/h3-5,12,15,19H,1-2,6-11H2;1H.
What are the key properties of [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119278834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).