N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide

C19H30N2O2 — CID 46454583

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H30N2O2/c22-18(14-15-6-4-5-7-15)20-17-10-12-21(13-11-17)19(23)16-8-2-1-3-9-16/h4,6,15-17H,1-3,5,7-14H2,(H,20,22)
InChIKeyPTUVJZGNWJCNNG-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 46454583) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID46454583
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H30N2O2/c22-18(14-15-6-4-5-7-15)20-17-10-12-21(13-11-17)19(23)16-8-2-1-3-9-16/h4,6,15-17H,1-3,5,7-14H2,(H,20,22)
InChIKeyPTUVJZGNWJCNNG-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide (CID 46454583) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is PTUVJZGNWJCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-18(14-15-6-4-5-7-15)20-17-10-12-21(13-11-17)19(23)16-8-2-1-3-9-16/h4,6,15-17H,1-3,5,7-14H2,(H,20,22).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 318.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 46454583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).