3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide

C17H26N2O — CID 683819

IUPAC3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCCCC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-13-11-14(2)17(15(3)12-13)18-16(20)7-10-19-8-5-4-6-9-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyZRWRTDKZHRRSPJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.43
Rot. Bonds4

About 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide

3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 683819) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID683819
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCCCC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-13-11-14(2)17(15(3)12-13)18-16(20)7-10-19-8-5-4-6-9-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyZRWRTDKZHRRSPJ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 134064400
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 46261847
N-(4-iodo-2,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 123476524
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide (CID 683819) is 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CCN2CCCCC2)c(C)c1.
What is the InChIKey of 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is ZRWRTDKZHRRSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-11-14(2)17(15(3)12-13)18-16(20)7-10-19-8-5-4-6-9-19/h11-12H,4-10H2,1-3H3,(H,18,20).
What are the key properties of 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide?
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 683819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).