2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide

C18H29N3O — CID 119920423

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCNC1CCCN(CC(=O)NC(C)Cc2ccccc2C)C1
InChIInChI=1S/C18H29N3O/c1-14-7-4-5-8-16(14)11-15(2)20-18(22)13-21-10-6-9-17(12-21)19-3/h4-5,7-8,15,17,19H,6,9-13H2,1-3H3,(H,20,22)
InChIKeyNHTRLYIBJCNEKS-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.73
Rot. Bonds6

About 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide

2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide (PubChem CID 119920423) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide
PubChem CID119920423
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCNC1CCCN(CC(=O)NC(C)Cc2ccccc2C)C1
InChIInChI=1S/C18H29N3O/c1-14-7-4-5-8-16(14)11-15(2)20-18(22)13-21-10-6-9-17(12-21)19-3/h4-5,7-8,15,17,19H,6,9-13H2,1-3H3,(H,20,22)
InChIKeyNHTRLYIBJCNEKS-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119908955
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 119919377
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119920308
2-(cyclopropylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 54862344
2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 119920407
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918965
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 129448861
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide (CID 119920423) is 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide is CNC1CCCN(CC(=O)NC(C)Cc2ccccc2C)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide?
The InChIKey is NHTRLYIBJCNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-7-4-5-8-16(14)11-15(2)20-18(22)13-21-10-6-9-17(12-21)19-3/h4-5,7-8,15,17,19H,6,9-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide?
2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide has a molecular weight of 303.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 119920423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).