(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide

C23H34N4O4 — CID 93210129

IUPAC(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCC(C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C23H34N4O4/c1-17(2)11-12-24-22(28)21(18-5-3-4-6-18)25-13-15-26(16-14-25)23(29)19-7-9-20(10-8-19)27(30)31/h7-10,17-18,21H,3-6,11-16H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyJAOPJANAKHHFGP-NRFANRHFSA-N
MW430.55 g/mol
LogP3.07
Rot. Bonds8

About (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide

(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide (PubChem CID 93210129) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
PubChem CID93210129
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCC(C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C23H34N4O4/c1-17(2)11-12-24-22(28)21(18-5-3-4-6-18)25-13-15-26(16-14-25)23(29)19-7-9-20(10-8-19)27(30)31/h7-10,17-18,21H,3-6,11-16H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyJAOPJANAKHHFGP-NRFANRHFSA-N
XLogP3.07
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.07
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

(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
(2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93211013
1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
CID 46024051
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 42842553
2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide
CID 46024214
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024690
(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210274
(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
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46152963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide (CID 93210129) is (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide is CC(C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is JAOPJANAKHHFGP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-17(2)11-12-24-22(28)21(18-5-3-4-6-18)25-13-15-26(16-14-25)23(29)19-7-9-20(10-8-19)27(30)31/h7-10,17-18,21H,3-6,11-16H2,1-2H3,(H,24,28)/t21-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93210129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).