4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride

C16H23ClN4O4 — CID 120563235

IUPAC4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.Cl
InChIInChI=1S/C16H22N4O4.ClH/c1-12(17)2-7-15(21)18-8-10-19(11-9-18)16(22)13-3-5-14(6-4-13)20(23)24;/h3-6,12H,2,7-11,17H2,1H3;1H
InChIKeyOUEFOFQZEZPFPA-UHFFFAOYSA-N
MW370.84 g/mol
LogP1.43
Rot. Bonds5

About 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride

4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 120563235) has the molecular formula C16H23ClN4O4 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID120563235
Molecular FormulaC16H23ClN4O4
Molecular Weight370.84 g/mol
Exact Mass370.14
IUPAC Name4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.Cl
InChIInChI=1S/C16H22N4O4.ClH/c1-12(17)2-7-15(21)18-8-10-19(11-9-18)16(22)13-3-5-14(6-4-13)20(23)24;/h3-6,12H,2,7-11,17H2,1H3;1H
InChIKeyOUEFOFQZEZPFPA-UHFFFAOYSA-N
XLogP1.43
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
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

4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 120559897
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
2-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 51165773
2-amino-3-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one
CID 119799635
4-amino-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]pentan-1-one;hydrochloride
CID 120558885
2-(cyclopropylmethylamino)-1-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119799622
4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120559709
4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 120559752
2-methyl-3-(methylamino)-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 119799627
2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 26999273
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
1-[4-(2-iodo-5-nitrobenzoyl)piperazin-1-yl]-4-methylpentan-1-one
CID 55922520

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 120563235) is 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride is CC(N)CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.Cl.
What is the InChIKey of 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is OUEFOFQZEZPFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4.ClH/c1-12(17)2-7-15(21)18-8-10-19(11-9-18)16(22)13-3-5-14(6-4-13)20(23)24;/h3-6,12H,2,7-11,17H2,1H3;1H.
What are the key properties of 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride?
4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 120563235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).