2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C17H26N2O — CID 2681954

IUPAC2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCC[C@H](C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-6-5-7-19(10-12)11-16(20)18-17-14(3)8-13(2)9-15(17)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyOMKYNMMNBZJGNB-LBPRGKRZSA-N
MW274.41 g/mol
LogP3.28
Rot. Bonds3

About 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 2681954) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID2681954
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCC[C@H](C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-6-5-7-19(10-12)11-16(20)18-17-14(3)8-13(2)9-15(17)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyOMKYNMMNBZJGNB-LBPRGKRZSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 102977555
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681882
2-[[2-[3-(methylamino)piperidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119918211
N-(2-methylnaphthalen-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 856171
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904700
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026146
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682066

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 2681954) is 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCC[C@H](C)C2)c(C)c1.
What is the InChIKey of 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is OMKYNMMNBZJGNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-6-5-7-19(10-12)11-16(20)18-17-14(3)8-13(2)9-15(17)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 2681954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).