1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride

C18H26ClN3O2 — CID 119683440

IUPAC1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCNCC1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(14-15-6-8-19-9-7-15)20-10-12-21(13-11-20)18(23)16-4-2-1-3-5-16;/h1-5,15,19H,6-14H2;1H
InChIKeyCBKOBXBJSNNYMK-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.78
Rot. Bonds3

About 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride

1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride (PubChem CID 119683440) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
PubChem CID119683440
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCNCC1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(14-15-6-8-19-9-7-15)20-10-12-21(13-11-20)18(23)16-4-2-1-3-5-16;/h1-5,15,19H,6-14H2;1H
InChIKeyCBKOBXBJSNNYMK-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;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-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46294968
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone;hydrochloride
CID 119681356
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetic acid;hydrochloride
CID 22362370
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563
(4-bromophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931058
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate
CID 167462983
2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride
CID 75495951
4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
CID 167961946
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one
CID 64678812

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride (CID 119683440) is 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride is Cl.O=C(CC1CCNCC1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride?
The InChIKey is CBKOBXBJSNNYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c22-17(14-15-6-8-19-9-7-15)20-10-12-21(13-11-20)18(23)16-4-2-1-3-5-16;/h1-5,15,19H,6-14H2;1H.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride?
1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride is sourced from PubChem (CID 119683440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).