N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

C16H33ClN2O — CID 119789209

IUPACN-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCC(C)CC(C)NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-5-12(2)10-14(4)18-16(19)11-13(3)15-6-8-17-9-7-15;/h12-15,17H,5-11H2,1-4H3,(H,18,19);1H
InChIKeyVXKGSFVABNXJBQ-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.37
Rot. Bonds7

About N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119789209) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119789209
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC NameN-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCC(C)CC(C)NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-5-12(2)10-14(4)18-16(19)11-13(3)15-6-8-17-9-7-15;/h12-15,17H,5-11H2,1-4H3,(H,18,19);1H
InChIKeyVXKGSFVABNXJBQ-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide
CID 119756301
3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride
CID 119779357
N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide
CID 119812275
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-ethyl-N-(2-methylbutyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816159
N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119763294
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119789209) is N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is CCC(C)CC(C)NC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is VXKGSFVABNXJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.ClH/c1-5-12(2)10-14(4)18-16(19)11-13(3)15-6-8-17-9-7-15;/h12-15,17H,5-11H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 304.91 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119789209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).