4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide

C18H30N2O2 — CID 109144922

IUPAC4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C18H30N2O2/c1-3-12-19-17(21)14-8-10-15(11-9-14)18(22)20-13-6-5-7-16(20)4-2/h3,14-16H,1,4-13H2,2H3,(H,19,21)
InChIKeyXECYWYRAQBONDF-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.89
Rot. Bonds5

About 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide

4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 109144922) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
PubChem CID109144922
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C18H30N2O2/c1-3-12-19-17(21)14-8-10-15(11-9-14)18(22)20-13-6-5-7-16(20)4-2/h3,14-16H,1,4-13H2,2H3,(H,19,21)
InChIKeyXECYWYRAQBONDF-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

N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145110
N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149554
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 51529124
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
4-(2-ethylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 109147196
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144861
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 109148363
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
4-(2-ethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 109150013
4-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149064

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide (CID 109144922) is 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide is C=CCNC(=O)C1CCC(C(=O)N2CCCCC2CC)CC1.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is XECYWYRAQBONDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-12-19-17(21)14-8-10-15(11-9-14)18(22)20-13-6-5-7-16(20)4-2/h3,14-16H,1,4-13H2,2H3,(H,19,21).
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide?
4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-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 4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 109144922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).