4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one

C19H27N3O2 — CID 138382775

IUPAC4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(CC3CCC(=O)N(C)C3)CC2=O)c1
InChIInChI=1S/C19H27N3O2/c1-15-4-3-5-16(10-15)13-22-9-8-21(14-19(22)24)12-17-6-7-18(23)20(2)11-17/h3-5,10,17H,6-9,11-14H2,1-2H3
InChIKeyTZZACKOBAXEBLH-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.51
Rot. Bonds4

About 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one

4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one (PubChem CID 138382775) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
PubChem CID138382775
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(CC3CCC(=O)N(C)C3)CC2=O)c1
InChIInChI=1S/C19H27N3O2/c1-15-4-3-5-16(10-15)13-22-9-8-21(14-19(22)24)12-17-6-7-18(23)20(2)11-17/h3-5,10,17H,6-9,11-14H2,1-2H3
InChIKeyTZZACKOBAXEBLH-UHFFFAOYSA-N
XLogP1.51
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]-4-(2-pyrazol-1-ylethyl)piperazin-2-one
CID 171328542
1-methyl-5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]piperidin-2-one
CID 138383037
(6R)-6-amino-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one
CID 10658150
1-[(3-methylphenyl)methyl]-4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-2-one
CID 95142391
1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one
CID 124755697
4-[(3-methylphenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one
CID 29150928
4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56916300
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97118518
4-[2-[5-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 22980263
4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-1-(3,5-dimethylphenyl)piperazin-2-one
CID 124754176
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 138810002

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one (CID 138382775) is 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one is Cc1cccc(CN2CCN(CC3CCC(=O)N(C)C3)CC2=O)c1.
What is the InChIKey of 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The InChIKey is TZZACKOBAXEBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-4-3-5-16(10-15)13-22-9-8-21(14-19(22)24)12-17-6-7-18(23)20(2)11-17/h3-5,10,17H,6-9,11-14H2,1-2H3.
What are the key properties of 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 138382775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).