(2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide

C19H26N4O4 — CID 93211013

IUPAC(2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H26N4O4/c1-20-18(24)17(14-4-2-3-5-14)21-10-12-22(13-11-21)19(25)15-6-8-16(9-7-15)23(26)27/h6-9,14,17H,2-5,10-13H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyHMZHQNAPRSDNCT-KRWDZBQOSA-N
MW374.44 g/mol
LogP1.66
Rot. Bonds5

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

(2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide (PubChem CID 93211013) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
PubChem CID93211013
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H26N4O4/c1-20-18(24)17(14-4-2-3-5-14)21-10-12-22(13-11-21)19(25)15-6-8-16(9-7-15)23(26)27/h6-9,14,17H,2-5,10-13H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyHMZHQNAPRSDNCT-KRWDZBQOSA-N
XLogP1.66
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.66
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'}

Analyze (2S)-2-cyclopentyl-N-methyl-2-[4-(4-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

1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
CID 46024051
(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210129
(2R)-2-cyclopentyl-N-[(2R)-2-methylbutyl]-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210016
(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93209430
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 42842553
(2S)-2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93208685
2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024132
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide
CID 93209263
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide (CID 93211013) is (2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide is CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is HMZHQNAPRSDNCT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-20-18(24)17(14-4-2-3-5-14)21-10-12-22(13-11-21)19(25)15-6-8-16(9-7-15)23(26)27/h6-9,14,17H,2-5,10-13H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
(2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93211013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).