N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride

C17H33ClN2O — CID 119784945

IUPACN-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC1CCC(NC(=O)CC(C)C2CCCNC2)C(C)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-12-6-7-16(14(3)9-12)19-17(20)10-13(2)15-5-4-8-18-11-15;/h12-16,18H,4-11H2,1-3H3,(H,19,20);1H
InChIKeyPRLMLNJUGKTTRF-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.37
Rot. Bonds4

About N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119784945) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119784945
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC NameN-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC1CCC(NC(=O)CC(C)C2CCCNC2)C(C)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-12-6-7-16(14(3)9-12)19-17(20)10-13(2)15-5-4-8-18-11-15;/h12-16,18H,4-11H2,1-3H3,(H,19,20);1H
InChIKeyPRLMLNJUGKTTRF-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(2,4-dimethylcyclohexyl)-2-piperidin-3-ylacetamide
CID 63998775
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119886287
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119900324
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide
CID 81048870
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119784945) is N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC1CCC(NC(=O)CC(C)C2CCCNC2)C(C)C1.Cl.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is PRLMLNJUGKTTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-12-6-7-16(14(3)9-12)19-17(20)10-13(2)15-5-4-8-18-11-15;/h12-16,18H,4-11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119784945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).