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

C16H25ClN2O — CID 91645265

IUPAC3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NC2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-5-6-14(13(2)10-12)7-8-16(19)18-15-4-3-9-17-11-15;/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3,(H,18,19);1H
InChIKeyVTBFJWJOPGWZKC-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.53
Rot. Bonds4

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

3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride (PubChem CID 91645265) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
PubChem CID91645265
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NC2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-5-6-14(13(2)10-12)7-8-16(19)18-15-4-3-9-17-11-15;/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3,(H,18,19);1H
InChIKeyVTBFJWJOPGWZKC-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428293
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119455766
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82294914
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
3-(2,4-dimethylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534079
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 94471135
4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453431
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119425485

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride (CID 91645265) is 3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride is Cc1ccc(CCC(=O)NC2CCCNC2)c(C)c1.Cl.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride?
The InChIKey is VTBFJWJOPGWZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-5-6-14(13(2)10-12)7-8-16(19)18-15-4-3-9-17-11-15;/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride?
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 91645265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).