(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one

C13H18N2O — CID 26365979

IUPAC(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN[C@H](C)C2=O)cc1
InChIInChI=1S/C13H18N2O/c1-10-3-5-12(6-4-10)9-15-8-7-14-11(2)13(15)16/h3-6,11,14H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyRCEPVMUSZMGPMP-LLVKDONJSA-N
MW218.30 g/mol
LogP1.32
Rot. Bonds2

About (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one

(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one (PubChem CID 26365979) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
PubChem CID26365979
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN[C@H](C)C2=O)cc1
InChIInChI=1S/C13H18N2O/c1-10-3-5-12(6-4-10)9-15-8-7-14-11(2)13(15)16/h3-6,11,14H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyRCEPVMUSZMGPMP-LLVKDONJSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258827
3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
CID 63608349
1-[(3,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258782
3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one
CID 102878684
1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 114933249
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207331
1-[(3,4-difluorophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 82929772
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one
CID 104810261
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
3-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-one
CID 82877165
4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one
CID 53409912
3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one
CID 63601928

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one (CID 26365979) is (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one is Cc1ccc(CN2CCN[C@H](C)C2=O)cc1.
What is the InChIKey of (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
The InChIKey is RCEPVMUSZMGPMP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-3-5-12(6-4-10)9-15-8-7-14-11(2)13(15)16/h3-6,11,14H,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 26365979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).