N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide

C18H25N3O — CID 11724529

IUPACN-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide
SMILESCc1cccc(C2C=CCC2)c1NC(=O)CN1CCNCC1
InChIInChI=1S/C18H25N3O/c1-14-5-4-8-16(15-6-2-3-7-15)18(14)20-17(22)13-21-11-9-19-10-12-21/h2,4-6,8,15,19H,3,7,9-13H2,1H3,(H,20,22)
InChIKeyNXSCRJAAGFQDIG-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.27
Rot. Bonds4

About N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide

N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide (PubChem CID 11724529) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide
PubChem CID11724529
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide
SMILESCc1cccc(C2C=CCC2)c1NC(=O)CN1CCNCC1
InChIInChI=1S/C18H25N3O/c1-14-5-4-8-16(15-6-2-3-7-15)18(14)20-17(22)13-21-11-9-19-10-12-21/h2,4-6,8,15,19H,3,7,9-13H2,1H3,(H,20,22)
InChIKeyNXSCRJAAGFQDIG-UHFFFAOYSA-N
XLogP2.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
N-(2,6-dimethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide
CID 120982303
2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119906370
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide
CID 65489482
N-(2,6-dimethylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 22273392
N-(2,6-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 119833358
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 86619162
N-(2,6-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914366

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide (CID 11724529) is N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide is Cc1cccc(C2C=CCC2)c1NC(=O)CN1CCNCC1.
What is the InChIKey of N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is NXSCRJAAGFQDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-5-4-8-16(15-6-2-3-7-15)18(14)20-17(22)13-21-11-9-19-10-12-21/h2,4-6,8,15,19H,3,7,9-13H2,1H3,(H,20,22).
What are the key properties of N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide?
N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 299.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopent-2-en-1-yl-6-methylphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 11724529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).