(1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride

C16H24Cl2N4O3 — CID 119858355

IUPAC(1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1
InChIInChI=1S/C16H22N4O3.2ClH/c17-16(6-1-2-7-16)15(21)19-10-8-18(9-11-19)13-4-3-5-14(12-13)20(22)23;;/h3-5,12H,1-2,6-11,17H2;2*1H
InChIKeyAXIVLCGYTAKNDU-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.36
Rot. Bonds3

About (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride

(1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119858355) has the molecular formula C16H24Cl2N4O3 and a molecular weight of 391.30 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119858355
Molecular FormulaC16H24Cl2N4O3
Molecular Weight391.30 g/mol
Exact Mass390.12
IUPAC Name(1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1
InChIInChI=1S/C16H22N4O3.2ClH/c17-16(6-1-2-7-16)15(21)19-10-8-18(9-11-19)13-4-3-5-14(12-13)20(22)23;;/h3-5,12H,1-2,6-11,17H2;2*1H
InChIKeyAXIVLCGYTAKNDU-UHFFFAOYSA-N
XLogP2.36
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.36
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

2-(methylamino)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
CID 61259786
(1-aminocyclopentyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828301
7-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]heptan-1-one;dihydrochloride
CID 119858319
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
3-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]butan-1-one
CID 61260337
2-bromo-2-methyl-1-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one
CID 114327555
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
1-methyl-3-[2-[4-(3-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55742575
1-[4-(3-nitrophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119858368
(2S)-2-amino-4-methyl-1-[4-(3-nitrophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119858407
4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843917

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride (CID 119858355) is (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is AXIVLCGYTAKNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3.2ClH/c17-16(6-1-2-7-16)15(21)19-10-8-18(9-11-19)13-4-3-5-14(12-13)20(22)23;;/h3-5,12H,1-2,6-11,17H2;2*1H.
What are the key properties of (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride?
(1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 391.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119858355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).