1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide

C16H26N2O2 — CID 6467776

IUPAC1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H26N2O2/c1-13(19)18-11-8-15(9-12-18)16(20)17-10-7-14-5-3-2-4-6-14/h5,15H,2-4,6-12H2,1H3,(H,17,20)
InChIKeyNQKWTBBMISIEDN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds4

About 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 6467776) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID6467776
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H26N2O2/c1-13(19)18-11-8-15(9-12-18)16(20)17-10-7-14-5-3-2-4-6-14/h5,15H,2-4,6-12H2,1H3,(H,17,20)
InChIKeyNQKWTBBMISIEDN-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
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 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide (CID 6467776) is 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is NQKWTBBMISIEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(19)18-11-8-15(9-12-18)16(20)17-10-7-14-5-3-2-4-6-14/h5,15H,2-4,6-12H2,1H3,(H,17,20).
What are the key properties of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 6467776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).