3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide

C17H26N2O — CID 2901547

IUPAC3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13-4-6-16(7-5-13)18-17(20)8-9-19-11-14(2)10-15(3)12-19/h4-7,14-15H,8-12H2,1-3H3,(H,18,20)
InChIKeyCBARPLBGFMDFLQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.30
Rot. Bonds4

About 3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide

3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide (PubChem CID 2901547) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
PubChem CID2901547
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-13-4-6-16(7-5-13)18-17(20)8-9-19-11-14(2)10-15(3)12-19/h4-7,14-15H,8-12H2,1-3H3,(H,18,20)
InChIKeyCBARPLBGFMDFLQ-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548
N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16784105
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
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
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-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16783001
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide (CID 2901547) is 3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN2CC(C)CC(C)C2)cc1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is CBARPLBGFMDFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-4-6-16(7-5-13)18-17(20)8-9-19-11-14(2)10-15(3)12-19/h4-7,14-15H,8-12H2,1-3H3,(H,18,20).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide?
3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.30, 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-(4-methylphenyl)propanamide is sourced from PubChem (CID 2901547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).