[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone

C17H20ClN3O4 — CID 38390813

IUPAC[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C17H20ClN3O4/c18-15-11-13(21(24)25)5-6-14(15)17(23)20-9-7-19(8-10-20)16(22)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2
InChIKeyGFTABIKENZTLMK-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.72
Rot. Bonds3

About [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone

[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone (PubChem CID 38390813) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone
PubChem CID38390813
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C17H20ClN3O4/c18-15-11-13(21(24)25)5-6-14(15)17(23)20-9-7-19(8-10-20)16(22)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2
InChIKeyGFTABIKENZTLMK-UHFFFAOYSA-N
XLogP2.72
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-(2-chloro-4-nitrobenzoyl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
CID 155098695
[1-[1-(2-chloro-4-nitrobenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42881304
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-chloro-4-nitrophenyl)methanone
CID 34342853
[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-phenylmethanone
CID 7936754
(2-chloro-4-nitrophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3605259
2-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 55563969
(2-chloro-4-nitrophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62642294
(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride
CID 119378331
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
(2-chloro-4-nitrophenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 8779419
(2-chloro-4-nitrophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543750
4-(2-chloro-4-nitrobenzoyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 37443463

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone (CID 38390813) is [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone is O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is GFTABIKENZTLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c18-15-11-13(21(24)25)5-6-14(15)17(23)20-9-7-19(8-10-20)16(22)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2.
What are the key properties of [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone?
[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 365.82 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 38390813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).