3-(2-methyl-3-piperidin-4-ylphenyl)propanamide

C15H22N2O — CID 174472217

IUPAC3-(2-methyl-3-piperidin-4-ylphenyl)propanamide
SMILESCc1c(CCC(N)=O)cccc1C1CCNCC1
InChIInChI=1S/C15H22N2O/c1-11-12(5-6-15(16)18)3-2-4-14(11)13-7-9-17-10-8-13/h2-4,13,17H,5-10H2,1H3,(H2,16,18)
InChIKeyOVRZVRVTWFOLLW-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.88
Rot. Bonds4

About 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide

3-(2-methyl-3-piperidin-4-ylphenyl)propanamide (PubChem CID 174472217) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-3-piperidin-4-ylphenyl)propanamide
PubChem CID174472217
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(2-methyl-3-piperidin-4-ylphenyl)propanamide
SMILESCc1c(CCC(N)=O)cccc1C1CCNCC1
InChIInChI=1S/C15H22N2O/c1-11-12(5-6-15(16)18)3-2-4-14(11)13-7-9-17-10-8-13/h2-4,13,17H,5-10H2,1H3,(H2,16,18)
InChIKeyOVRZVRVTWFOLLW-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-butyl-2-methylphenyl)piperidine
CID 130378004
2-methyl-6-piperidin-4-ylbenzamide
CID 174505124
2-(3-cyclobutyl-2-methylphenyl)ethanamine
CID 142992791
N,N,2-trimethyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171362069
N-ethyl-2-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171362043
N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide
CID 171362054
O-[2-(2-piperidin-4-ylphenyl)ethyl]hydroxylamine
CID 117314763
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 115105046
4-[2-methoxy-3-(methoxymethyl)phenyl]piperidine
CID 117343038
(2-methyl-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171362080
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119311457
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide?
The IUPAC name of 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide (CID 174472217) is 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide is Cc1c(CCC(N)=O)cccc1C1CCNCC1.
What is the InChIKey of 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide?
The InChIKey is OVRZVRVTWFOLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-12(5-6-15(16)18)3-2-4-14(11)13-7-9-17-10-8-13/h2-4,13,17H,5-10H2,1H3,(H2,16,18).
What are the key properties of 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide?
3-(2-methyl-3-piperidin-4-ylphenyl)propanamide has a molecular weight of 246.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-piperidin-4-ylphenyl)propanamide is sourced from PubChem (CID 174472217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).