(3S)-1-benzyl-3-ethylpiperazin-2-one

C13H18N2O — CID 45095306

IUPAC(3S)-1-benzyl-3-ethylpiperazin-2-one
SMILESCC[C@@H]1NCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H18N2O/c1-2-12-13(16)15(9-8-14-12)10-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3/t12-/m0/s1
InChIKeyKNCGLCCRTWMOON-LBPRGKRZSA-N
MW218.30 g/mol
LogP1.40
Rot. Bonds3

About (3S)-1-benzyl-3-ethylpiperazin-2-one

(3S)-1-benzyl-3-ethylpiperazin-2-one (PubChem CID 45095306) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3S)-1-benzyl-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-ethylpiperazin-2-one
PubChem CID45095306
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3S)-1-benzyl-3-ethylpiperazin-2-one
SMILESCC[C@@H]1NCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H18N2O/c1-2-12-13(16)15(9-8-14-12)10-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3/t12-/m0/s1
InChIKeyKNCGLCCRTWMOON-LBPRGKRZSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one
CID 63601928
1-[(2,6-dichlorophenyl)methyl]-3-ethylpiperazin-2-one
CID 63601576
3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one
CID 55215575
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
CID 110283149
(3R)-1,3-diethylpiperazin-2-one
CID 96645682
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide;hydrochloride
CID 110283148
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
1-[(5-bromothiophen-2-yl)methyl]-3-ethylpiperazin-2-one
CID 63601575
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 102002003

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-ethylpiperazin-2-one?
The IUPAC name of (3S)-1-benzyl-3-ethylpiperazin-2-one (CID 45095306) is (3S)-1-benzyl-3-ethylpiperazin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-ethylpiperazin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-ethylpiperazin-2-one is CC[C@@H]1NCCN(Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-benzyl-3-ethylpiperazin-2-one?
The InChIKey is KNCGLCCRTWMOON-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12-13(16)15(9-8-14-12)10-11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-ethylpiperazin-2-one?
(3S)-1-benzyl-3-ethylpiperazin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-ethylpiperazin-2-one is sourced from PubChem (CID 45095306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).