4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride

C17H25ClN2O2 — CID 119462344

IUPAC4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCc1ccc(C(=O)CCC(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-13-4-6-15(7-5-13)16(20)8-9-17(21)19-12-14-3-2-10-18-11-14;/h4-7,14,18H,2-3,8-12H2,1H3,(H,19,21);1H
InChIKeyGZSHAMFPLWMDPM-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.50
Rot. Bonds6

About 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride

4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (PubChem CID 119462344) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
PubChem CID119462344
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCc1ccc(C(=O)CCC(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-13-4-6-15(7-5-13)16(20)8-9-17(21)19-12-14-3-2-10-18-11-14;/h4-7,14,18H,2-3,8-12H2,1H3,(H,19,21);1H
InChIKeyGZSHAMFPLWMDPM-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119557544
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 94824651
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 119461471
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119462922

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (CID 119462344) is 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is Cc1ccc(C(=O)CCC(=O)NCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The InChIKey is GZSHAMFPLWMDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-13-4-6-15(7-5-13)16(20)8-9-17(21)19-12-14-3-2-10-18-11-14;/h4-7,14,18H,2-3,8-12H2,1H3,(H,19,21);1H.
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119462344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).