[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone

C16H14ClN3O5 — CID 32530577

IUPAC[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H14ClN3O5/c17-12-1-2-13(14(9-12)20(23)24)16(22)19-6-4-18(5-7-19)15(21)11-3-8-25-10-11/h1-3,8-10H,4-7H2
InChIKeyNIZMISDFCDIMMG-UHFFFAOYSA-N
MW363.76 g/mol
LogP2.44
Rot. Bonds3

About [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone

[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 32530577) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID32530577
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC Name[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H14ClN3O5/c17-12-1-2-13(14(9-12)20(23)24)16(22)19-6-4-18(5-7-19)15(21)11-3-8-25-10-11/h1-3,8-10H,4-7H2
InChIKeyNIZMISDFCDIMMG-UHFFFAOYSA-N
XLogP2.44
TPSA96.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 52.44
H-Bond Donors ≤ 50
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-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone 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-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
CID 874551
(4-chloro-2-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43391684
(4-chloro-2-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400657
(4-chloro-2-nitrophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671006
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 32528473
(4-chloro-2-nitrophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60579796
[4-(2,6-dichloro-4-nitrophenyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 133443241
(3-bromopiperidin-1-yl)-(4-chloro-2-nitrophenyl)methanone
CID 80661359
(4-chloro-2-nitrophenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27562395
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 32532621
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-nitrophenyl)methanone;hydrochloride
CID 119934218

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone (CID 32530577) is [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1.
What is the InChIKey of [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is NIZMISDFCDIMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c17-12-1-2-13(14(9-12)20(23)24)16(22)19-6-4-18(5-7-19)15(21)11-3-8-25-10-11/h1-3,8-10H,4-7H2.
What are the key properties of [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone?
[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 363.76 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 32530577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).