3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide

C15H22N2O — CID 739976

IUPAC3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
SMILESC[C@H]1CCCN(CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-13-6-5-10-17(12-13)11-9-15(18)16-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyJVSTVTLENBVWNU-ZDUSSCGKSA-N
MW246.35 g/mol
LogP2.75
Rot. Bonds4

About 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide

3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide (PubChem CID 739976) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
PubChem CID739976
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
SMILESC[C@H]1CCCN(CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-13-6-5-10-17(12-13)11-9-15(18)16-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyJVSTVTLENBVWNU-ZDUSSCGKSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109032975
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
3-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30099813
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
CID 95159240
2-[3-(3-methylpiperidin-1-yl)propanoylamino]-2-phenylacetic acid
CID 53215856
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide (CID 739976) is 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide is C[C@H]1CCCN(CCC(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide?
The InChIKey is JVSTVTLENBVWNU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13-6-5-10-17(12-13)11-9-15(18)16-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide?
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 739976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).