4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide

C18H34N2O — CID 79700426

IUPAC4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(CC1CCNCC1)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34N2O/c1-18(2,3)16-7-5-15(6-8-16)17(21)20(4)13-14-9-11-19-12-10-14/h14-16,19H,5-13H2,1-4H3
InChIKeyCWXKTVFBCXVNOR-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.30
Rot. Bonds3

About 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide

4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 79700426) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID79700426
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(CC1CCNCC1)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34N2O/c1-18(2,3)16-7-5-15(6-8-16)17(21)20(4)13-14-9-11-19-12-10-14/h14-16,19H,5-13H2,1-4H3
InChIKeyCWXKTVFBCXVNOR-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230
N-(2-aminoethyl)-4-tert-butyl-N-methylcyclohexane-1-carboxamide
CID 62717748
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119855559
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151025
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
N-methyl-6-oxo-N-(piperidin-4-ylmethyl)piperidine-3-carboxamide
CID 83192838
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278
4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 115691786
N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide
CID 81098696
4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115760153

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide (CID 79700426) is 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide is CN(CC1CCNCC1)C(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is CWXKTVFBCXVNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-18(2,3)16-7-5-15(6-8-16)17(21)20(4)13-14-9-11-19-12-10-14/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 294.48 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79700426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).