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

C19H34N2O2 — CID 109149554

IUPACN-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H34N2O2/c1-5-16-8-6-7-13-21(16)18(23)15-11-9-14(10-12-15)17(22)20-19(2,3)4/h14-16H,5-13H2,1-4H3,(H,20,22)
InChIKeyVQIGYHCJBCFZSQ-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.50
Rot. Bonds3

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

N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109149554) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109149554
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC NameN-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H34N2O2/c1-5-16-8-6-7-13-21(16)18(23)15-11-9-14(10-12-15)17(22)20-19(2,3)4/h14-16H,5-13H2,1-4H3,(H,20,22)
InChIKeyVQIGYHCJBCFZSQ-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145110
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144922
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
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-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
4-(2-ethylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 109147196
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
N-tert-butyl-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 113005394
2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61267134

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109149554) is N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is CCC1CCCCN1C(=O)C1CCC(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is VQIGYHCJBCFZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-5-16-8-6-7-13-21(16)18(23)15-11-9-14(10-12-15)17(22)20-19(2,3)4/h14-16H,5-13H2,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109149554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).