(3S)-4-benzyl-3-methylpiperazin-2-one

C12H16N2O — CID 129362839

IUPAC(3S)-4-benzyl-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-10-12(15)13-7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyJAAQKQBXFIMGGA-JTQLQIEISA-N
MW204.27 g/mol
LogP1.01
Rot. Bonds2

About (3S)-4-benzyl-3-methylpiperazin-2-one

(3S)-4-benzyl-3-methylpiperazin-2-one (PubChem CID 129362839) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3S)-4-benzyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-benzyl-3-methylpiperazin-2-one
PubChem CID129362839
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3S)-4-benzyl-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-10-12(15)13-7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyJAAQKQBXFIMGGA-JTQLQIEISA-N
XLogP1.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one
CID 74239154
4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one
CID 166367359
3-methyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
CID 136524266
(3S)-4-[(2,4-dichlorophenyl)methyl]-3-methylpiperazin-2-one
CID 52881469
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
methyl 2-[(2-methyl-3-oxopiperazin-1-yl)methyl]benzoate
CID 82969734
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazin-2-one
CID 63595615
4-[(2-amino-6-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 63597180
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one
CID 113278010
3-(2-methyl-3-oxopiperazin-1-yl)-2-phenylpropanenitrile
CID 64537557
4-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-methylpiperazin-2-one
CID 63608397

Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-benzyl-3-methylpiperazin-2-one (CID 129362839) is (3S)-4-benzyl-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-benzyl-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-benzyl-3-methylpiperazin-2-one is C[C@H]1C(=O)NCCN1Cc1ccccc1.
What is the InChIKey of (3S)-4-benzyl-3-methylpiperazin-2-one?
The InChIKey is JAAQKQBXFIMGGA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-12(15)13-7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (3S)-4-benzyl-3-methylpiperazin-2-one?
(3S)-4-benzyl-3-methylpiperazin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-3-methylpiperazin-2-one is sourced from PubChem (CID 129362839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).