N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

C18H35ClN2O — CID 119791939

IUPACN-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C1CCC(C)(C)CC1)C1CCNCC1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-14(15-7-11-19-12-8-15)13-17(21)20(4)16-5-9-18(2,3)10-6-16;/h14-16,19H,5-13H2,1-4H3;1H
InChIKeyCYQSVZDFUMMCJG-UHFFFAOYSA-N
MW330.94 g/mol
LogP3.86
Rot. Bonds4

About N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119791939) has the molecular formula C18H35ClN2O and a molecular weight of 330.94 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119791939
Molecular FormulaC18H35ClN2O
Molecular Weight330.94 g/mol
Exact Mass330.24
IUPAC NameN-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C1CCC(C)(C)CC1)C1CCNCC1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-14(15-7-11-19-12-8-15)13-17(21)20(4)16-5-9-18(2,3)10-6-16;/h14-16,19H,5-13H2,1-4H3;1H
InChIKeyCYQSVZDFUMMCJG-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.94
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119841958
N-methyl-N-(3-methylcyclohexyl)-3-piperidin-4-ylbutanamide
CID 119717321
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119817568
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-cyclopropyl-N-ethyl-3-piperidin-4-ylbutanamide
CID 119718930
N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816024
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
N-ethyl-N-(2-methylbutyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816159
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
CID 119684345
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119893449
N-ethyl-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119732319

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (CID 119791939) is N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)N(C)C1CCC(C)(C)CC1)C1CCNCC1.Cl.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is CYQSVZDFUMMCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O.ClH/c1-14(15-7-11-19-12-8-15)13-17(21)20(4)16-5-9-18(2,3)10-6-16;/h14-16,19H,5-13H2,1-4H3;1H.
What are the key properties of N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 330.94 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119791939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).