2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide

C18H28N2O — CID 83034566

IUPAC2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
SMILESCc1cccc(CCNC(=O)C(C)(C)C2CCCNC2)c1
InChIInChI=1S/C18H28N2O/c1-14-6-4-7-15(12-14)9-11-20-17(21)18(2,3)16-8-5-10-19-13-16/h4,6-7,12,16,19H,5,8-11,13H2,1-3H3,(H,20,21)
InChIKeyOVNJSGTWXCUVDG-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide

2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide (PubChem CID 83034566) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
PubChem CID83034566
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
SMILESCc1cccc(CCNC(=O)C(C)(C)C2CCCNC2)c1
InChIInChI=1S/C18H28N2O/c1-14-6-4-7-15(12-14)9-11-20-17(21)18(2,3)16-8-5-10-19-13-16/h4,6-7,12,16,19H,5,8-11,13H2,1-3H3,(H,20,21)
InChIKeyOVNJSGTWXCUVDG-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
N-[(3-methoxyphenyl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034070
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one
CID 116611171
N-ethyl-2-methyl-N-(3-methylphenyl)-2-piperidin-3-ylpropanamide
CID 83198721
N-[2-(diethylamino)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031262
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031355
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
2-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-2-piperidin-3-ylpropanamide
CID 115881590
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 114247975
N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 82132898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide?
The IUPAC name of 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide (CID 83034566) is 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide?
The canonical SMILES for 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide is Cc1cccc(CCNC(=O)C(C)(C)C2CCCNC2)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide?
The InChIKey is OVNJSGTWXCUVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-6-4-7-15(12-14)9-11-20-17(21)18(2,3)16-8-5-10-19-13-16/h4,6-7,12,16,19H,5,8-11,13H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide?
2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83034566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).