N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride

C17H25ClN2O2 — CID 119442940

IUPACN-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccc(C(=O)CCC(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-13-3-5-14(6-4-13)16(20)7-8-17(21)19(2)15-9-11-18-12-10-15;/h3-6,15,18H,7-12H2,1-2H3;1H
InChIKeyREMNYAPBSPYEEH-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.59
Rot. Bonds5

About N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride

N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119442940) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119442940
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccc(C(=O)CCC(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-13-3-5-14(6-4-13)16(20)7-8-17(21)19(2)15-9-11-18-12-10-15;/h3-6,15,18H,7-12H2,1-2H3;1H
InChIKeyREMNYAPBSPYEEH-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
N-methyl-4-oxo-4-(4-phenylphenyl)-N-piperidin-4-ylbutanamide
CID 119443079
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119553689
N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 58884651
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
CID 119443848
4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119551947
2-[cyclopropyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 119202169

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride (CID 119442940) is N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride is Cc1ccc(C(=O)CCC(=O)N(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is REMNYAPBSPYEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-13-3-5-14(6-4-13)16(20)7-8-17(21)19(2)15-9-11-18-12-10-15;/h3-6,15,18H,7-12H2,1-2H3;1H.
What are the key properties of N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride?
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119442940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).