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

C17H27ClN2O — CID 119670598

IUPACN-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(NC(=O)CC(C)C2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-6-7-16(14(3)9-12)19-17(20)10-13(2)15-5-4-8-18-11-15;/h6-7,9,13,15,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H
InChIKeyOUMUQDMEUMEANC-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.69
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119670598) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119670598
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(NC(=O)CC(C)C2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-6-7-16(14(3)9-12)19-17(20)10-13(2)15-5-4-8-18-11-15;/h6-7,9,13,15,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H
InChIKeyOUMUQDMEUMEANC-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714185
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714059
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119674536

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119670598) is N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccc(NC(=O)CC(C)C2CCCNC2)c(C)c1.Cl.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is OUMUQDMEUMEANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12-6-7-16(14(3)9-12)19-17(20)10-13(2)15-5-4-8-18-11-15;/h6-7,9,13,15,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119670598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).