(4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one

C16H20N2O2 — CID 128526297

IUPAC(4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one
SMILESCc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H](C)CC(=O)N1)C2
InChIInChI=1S/C16H20N2O2/c1-10-3-4-12-8-18(9-13(12)5-10)16(20)14-6-11(2)7-15(19)17-14/h3-5,11,14H,6-9H2,1-2H3,(H,17,19)/t11-,14-/m0/s1
InChIKeyBOEMHQJRTXKUAZ-FZMZJTMJSA-N
MW272.35 g/mol
LogP1.75
Rot. Bonds1

About (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one

(4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one (PubChem CID 128526297) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one
PubChem CID128526297
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one
SMILESCc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H](C)CC(=O)N1)C2
InChIInChI=1S/C16H20N2O2/c1-10-3-4-12-8-18(9-13(12)5-10)16(20)14-6-11(2)7-15(19)17-14/h3-5,11,14H,6-9H2,1-2H3,(H,17,19)/t11-,14-/m0/s1
InChIKeyBOEMHQJRTXKUAZ-FZMZJTMJSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,6S)-4-methyl-6-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-2-one
CID 128508818
(2S)-2-amino-2-cyclopentyl-1-(5-methyl-1,3-dihydroisoindol-2-yl)ethanone
CID 153453871
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 110689690
5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110689681
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997295
(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 129368292
methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 20871848
N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide
CID 99782343
(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;ethane
CID 176552228
(4S)-6-iodo-4-methylpiperidin-2-one
CID 170011470
(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
CID 166417503

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one?
The IUPAC name of (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one (CID 128526297) is (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one.
What is the SMILES notation for (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one?
The canonical SMILES for (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one is Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H](C)CC(=O)N1)C2.
What is the InChIKey of (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one?
The InChIKey is BOEMHQJRTXKUAZ-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-3-4-12-8-18(9-13(12)5-10)16(20)14-6-11(2)7-15(19)17-14/h3-5,11,14H,6-9H2,1-2H3,(H,17,19)/t11-,14-/m0/s1.
What are the key properties of (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one?
(4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-methyl-6-(5-methyl-1,3-dihydroisoindole-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 128526297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).