N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride

C16H25ClN2O — CID 24747038

IUPACN-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CCCC(C)C2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13-5-3-7-15(11-13)17-16(19)8-10-18-9-4-6-14(2)12-18;/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3,(H,17,19);1H
InChIKeyGQXHESKBGSSWQY-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.48
Rot. Bonds4

About N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride

N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride (PubChem CID 24747038) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
PubChem CID24747038
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CCCC(C)C2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13-5-3-7-15(11-13)17-16(19)8-10-18-9-4-6-14(2)12-18;/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3,(H,17,19);1H
InChIKeyGQXHESKBGSSWQY-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
ethyl (3S)-1-[3-(3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 739964
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
CID 62546343
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
4-(4-hydroxy-3-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
CID 114681479
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109032975

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride (CID 24747038) is N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride is Cc1cccc(NC(=O)CCN2CCCC(C)C2)c1.Cl.
What is the InChIKey of N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride?
The InChIKey is GQXHESKBGSSWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-13-5-3-7-15(11-13)17-16(19)8-10-18-9-4-6-14(2)12-18;/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride?
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 24747038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).