N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide

C17H24N4O3 — CID 17396044

IUPACN-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCC1
InChIInChI=1S/C17H24N4O3/c22-17(18-14-5-1-2-6-14)13-19-9-11-20(12-10-19)15-7-3-4-8-16(15)21(23)24/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,18,22)
InChIKeyOGEJYGKYMRXFQB-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.78
Rot. Bonds5

About N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide

N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 17396044) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID17396044
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCC1
InChIInChI=1S/C17H24N4O3/c22-17(18-14-5-1-2-6-14)13-19-9-11-20(12-10-19)15-7-3-4-8-16(15)21(23)24/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,18,22)
InChIKeyOGEJYGKYMRXFQB-UHFFFAOYSA-N
XLogP1.78
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.78
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

N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
[2-(cyclohexylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate
CID 7835754
2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 133478487
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
N-methyl-4-[4-[2-[(3-methylcyclohexyl)amino]-2-oxoethyl]piperazin-1-yl]-3-nitrobenzamide
CID 133293485
N-(2-benzoylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 16555008
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 31372103
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 46561002
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide (CID 17396044) is N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is OGEJYGKYMRXFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-17(18-14-5-1-2-6-14)13-19-9-11-20(12-10-19)15-7-3-4-8-16(15)21(23)24/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,18,22).
What are the key properties of N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide?
N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17396044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).