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

C18H30N2O2 — CID 75414050

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C18H30N2O2/c1-14(2)18(22)20-12-9-16(10-13-20)17(21)19-11-8-15-6-4-3-5-7-15/h6,14,16H,3-5,7-13H2,1-2H3,(H,19,21)
InChIKeyRIDHGQZOZSHMNX-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.89
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 75414050) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID75414050
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C18H30N2O2/c1-14(2)18(22)20-12-9-16(10-13-20)17(21)19-11-8-15-6-4-3-5-7-15/h6,14,16H,3-5,7-13H2,1-2H3,(H,19,21)
InChIKeyRIDHGQZOZSHMNX-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146208
1-(2-amino-2-oxoethyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 16909150
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003181
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 50771431
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335401
tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 31327704
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 75414050) is N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is RIDHGQZOZSHMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)18(22)20-12-9-16(10-13-20)17(21)19-11-8-15-6-4-3-5-7-15/h6,14,16H,3-5,7-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 75414050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).