(3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride

C17H23ClN4O4 — CID 119799606

IUPAC(3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1
InChIInChI=1S/C17H22N4O4.ClH/c18-14-4-1-13(11-14)17(23)20-9-7-19(8-10-20)16(22)12-2-5-15(6-3-12)21(24)25;/h2-3,5-6,13-14H,1,4,7-11,18H2;1H
InChIKeyXAVZXEONFAXEAA-UHFFFAOYSA-N
MW382.85 g/mol
LogP1.43
Rot. Bonds3

About (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride

(3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119799606) has the molecular formula C17H23ClN4O4 and a molecular weight of 382.85 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119799606
Molecular FormulaC17H23ClN4O4
Molecular Weight382.85 g/mol
Exact Mass382.14
IUPAC Name(3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1
InChIInChI=1S/C17H22N4O4.ClH/c18-14-4-1-13(11-14)17(23)20-9-7-19(8-10-20)16(22)12-2-5-15(6-3-12)21(24)25;/h2-3,5-6,13-14H,1,4,7-11,18H2;1H
InChIKeyXAVZXEONFAXEAA-UHFFFAOYSA-N
XLogP1.43
TPSA109.78 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 ≤ 51.43
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'}

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Related Compounds

(3-aminocyclopentyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710026
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406
[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119332740
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710030
(4-amino-3-methylpiperidin-1-yl)-(4-nitrophenyl)methanone;hydrochloride
CID 119592233
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 120794595
(3-aminocyclopentyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738833
2-(cyclopropylmethylamino)-1-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119799622
[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 119332733
1-[4-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone;hydrochloride
CID 119685679
(3-aminocyclopentyl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone;hydrochloride
CID 119692081

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride (CID 119799606) is (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride is Cl.NC1CCC(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is XAVZXEONFAXEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4.ClH/c18-14-4-1-13(11-14)17(23)20-9-7-19(8-10-20)16(22)12-2-5-15(6-3-12)21(24)25;/h2-3,5-6,13-14H,1,4,7-11,18H2;1H.
What are the key properties of (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride?
(3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 382.85 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119799606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).