[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride

C17H23ClN4O4 — CID 119332740

IUPAC[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H22N4O4.ClH/c22-16(13-1-3-15(4-2-13)21(24)25)19-9-11-20(12-10-19)17(23)14-5-7-18-8-6-14;/h1-4,14,18H,5-12H2;1H
InChIKeyDUWHMDQRWRIRJP-UHFFFAOYSA-N
MW382.85 g/mol
LogP1.30
Rot. Bonds3

About [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride

[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 119332740) has the molecular formula C17H23ClN4O4 and a molecular weight of 382.85 g/mol. Its IUPAC name is [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID119332740
Molecular FormulaC17H23ClN4O4
Molecular Weight382.85 g/mol
Exact Mass382.14
IUPAC Name[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C17H22N4O4.ClH/c22-16(13-1-3-15(4-2-13)21(24)25)19-9-11-20(12-10-19)17(23)14-5-7-18-8-6-14;/h1-4,14,18H,5-12H2;1H
InChIKeyDUWHMDQRWRIRJP-UHFFFAOYSA-N
XLogP1.30
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-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-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
(3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119799606
[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 119332733
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406
[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-piperidin-4-ylmethanone
CID 119265544
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119278638
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 120794595
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone
CID 120934606
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 787175
[4-(dimethylamino)piperidin-1-yl]-(4-nitrophenyl)methanone;N,N-dimethylpiperidin-4-amine;(4-nitrophenyl) formate
CID 159624619
2-(cyclopropylmethylamino)-1-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119799622
[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone
CID 38390813

Frequently Asked Questions

What is the IUPAC name of [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride (CID 119332740) is [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride is Cl.O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is DUWHMDQRWRIRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4.ClH/c22-16(13-1-3-15(4-2-13)21(24)25)19-9-11-20(12-10-19)17(23)14-5-7-18-8-6-14;/h1-4,14,18H,5-12H2;1H.
What are the key properties of [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 382.85 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119332740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).