3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride

C16H25ClN2O — CID 126467812

IUPAC3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
SMILESCC1CC(C)CN(CCC(=O)Nc2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13-10-14(2)12-18(11-13)9-8-16(19)17-15-6-4-3-5-7-15;/h3-7,13-14H,8-12H2,1-2H3,(H,17,19);1H
InChIKeyZJWRMBCCMZWASJ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.41
Rot. Bonds4

About 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride

3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride (PubChem CID 126467812) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
PubChem CID126467812
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
SMILESCC1CC(C)CN(CCC(=O)Nc2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13-10-14(2)12-18(11-13)9-8-16(19)17-15-6-4-3-5-7-15;/h3-7,13-14H,8-12H2,1-2H3,(H,17,19);1H
InChIKeyZJWRMBCCMZWASJ-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16784105
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid
CID 171154563
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540742

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride (CID 126467812) is 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride is CC1CC(C)CN(CCC(=O)Nc2ccccc2)C1.Cl.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride?
The InChIKey is ZJWRMBCCMZWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-13-10-14(2)12-18(11-13)9-8-16(19)17-15-6-4-3-5-7-15;/h3-7,13-14H,8-12H2,1-2H3,(H,17,19);1H.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride?
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 126467812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).