N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

C19H34N2O2 — CID 109145110

IUPACN-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C19H34N2O2/c1-3-5-13-20-18(22)15-9-11-16(12-10-15)19(23)21-14-7-6-8-17(21)4-2/h15-17H,3-14H2,1-2H3,(H,20,22)
InChIKeyMHYTVEMJINAEQL-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.50
Rot. Bonds6

About N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109145110) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109145110
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC NameN-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C19H34N2O2/c1-3-5-13-20-18(22)15-9-11-16(12-10-15)19(23)21-14-7-6-8-17(21)4-2/h15-17H,3-14H2,1-2H3,(H,20,22)
InChIKeyMHYTVEMJINAEQL-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144922
4-(2-ethylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 109147196
N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149554
N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108941432
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
4-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149064
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109145110) is N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is CCCCNC(=O)C1CCC(C(=O)N2CCCCC2CC)CC1.
What is the InChIKey of N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is MHYTVEMJINAEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-3-5-13-20-18(22)15-9-11-16(12-10-15)19(23)21-14-7-6-8-17(21)4-2/h15-17H,3-14H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109145110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).