2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide

C23H34N4O4 — CID 46024001

IUPAC2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C23H34N4O4/c1-4-24(5-2)23(29)21(18-8-6-7-9-18)25-12-14-26(15-13-25)22(28)19-11-10-17(3)20(16-19)27(30)31/h10-11,16,18,21H,4-9,12-15H2,1-3H3
InChIKeyQZQGWVLPFZMGQJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.09
Rot. Bonds7

About 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide

2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024001) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
PubChem CID46024001
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C23H34N4O4/c1-4-24(5-2)23(29)21(18-8-6-7-9-18)25-12-14-26(15-13-25)22(28)19-11-10-17(3)20(16-19)27(30)31/h10-11,16,18,21H,4-9,12-15H2,1-3H3
InChIKeyQZQGWVLPFZMGQJ-UHFFFAOYSA-N
XLogP3.09
TPSA87.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.09
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 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide 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

(2S)-2-cyclopentyl-N-ethyl-N-methyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93208773
(2R)-2-cyclopentyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208350
(2S)-2-cyclopentyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 93208347
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 119562505
(4-methyl-3-nitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939085
[4-(ethylaminomethyl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119646891
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide
CID 46024140
(2R)-2-cyclopentyl-N,N-diethyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93208283
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 93208612
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 32528473
(2R)-2-cyclopentyl-N-[(2R)-2-methylbutyl]-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210016
1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
CID 46024051

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide (CID 46024001) is 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide is CCN(CC)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is QZQGWVLPFZMGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-4-24(5-2)23(29)21(18-8-6-7-9-18)25-12-14-26(15-13-25)22(28)19-11-10-17(3)20(16-19)27(30)31/h10-11,16,18,21H,4-9,12-15H2,1-3H3.
What are the key properties of 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N,N-diethyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).