3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride

C18H35ClN2O — CID 119775867

IUPAC3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC(C)C1CCCC(NC(=O)CC(C)C2CCNCC2)C1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-13(2)16-5-4-6-17(12-16)20-18(21)11-14(3)15-7-9-19-10-8-15;/h13-17,19H,4-12H2,1-3H3,(H,20,21);1H
InChIKeyZLSYXINYZZWMTF-UHFFFAOYSA-N
MW330.94 g/mol
LogP3.77
Rot. Bonds5

About 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride

3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride (PubChem CID 119775867) has the molecular formula C18H35ClN2O and a molecular weight of 330.94 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
PubChem CID119775867
Molecular FormulaC18H35ClN2O
Molecular Weight330.94 g/mol
Exact Mass330.24
IUPAC Name3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC(C)C1CCCC(NC(=O)CC(C)C2CCNCC2)C1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-13(2)16-5-4-6-17(12-16)20-18(21)11-14(3)15-7-9-19-10-8-15;/h13-17,19H,4-12H2,1-3H3,(H,20,21);1H
InChIKeyZLSYXINYZZWMTF-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.94
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119818870
4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 120591771
3-piperidin-4-yl-N-(4-propylcyclohexyl)butanamide
CID 119750393
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-(3-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119775883
N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119710904
(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide
CID 100614916
N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119755741
4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119319062
N-(2,2-dimethylcyclopentyl)-3-piperidin-4-ylbutanamide
CID 119790559
N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119803504

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride (CID 119775867) is 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride is CC(C)C1CCCC(NC(=O)CC(C)C2CCNCC2)C1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The InChIKey is ZLSYXINYZZWMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O.ClH/c1-13(2)16-5-4-6-17(12-16)20-18(21)11-14(3)15-7-9-19-10-8-15;/h13-17,19H,4-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride has a molecular weight of 330.94 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 119775867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).