(3S,6S)-6-methyl-3-propylpiperazin-2-one

C8H16N2O — CID 91195931

IUPAC(3S,6S)-6-methyl-3-propylpiperazin-2-one
SMILESCCC[C@@H]1NC[C@H](C)NC1=O
InChIInChI=1S/C8H16N2O/c1-3-4-7-8(11)10-6(2)5-9-7/h6-7,9H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyQSUVJDCMDWCPKD-BQBZGAKWSA-N
MW156.23 g/mol
LogP0.26
Rot. Bonds2

About (3S,6S)-6-methyl-3-propylpiperazin-2-one

(3S,6S)-6-methyl-3-propylpiperazin-2-one (PubChem CID 91195931) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3S,6S)-6-methyl-3-propylpiperazin-2-one.

Molecular Properties

Compound Name(3S,6S)-6-methyl-3-propylpiperazin-2-one
PubChem CID91195931
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3S,6S)-6-methyl-3-propylpiperazin-2-one
SMILESCCC[C@@H]1NC[C@H](C)NC1=O
InChIInChI=1S/C8H16N2O/c1-3-4-7-8(11)10-6(2)5-9-7/h6-7,9H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyQSUVJDCMDWCPKD-BQBZGAKWSA-N
XLogP0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-(methylaminomethyl)piperazin-2-one
CID 171531095
(3S,6S)-6-phenyl-3-propylpiperazin-2-one;sulfane
CID 159988778
3,6-dimethylpiperazin-2-one;hydrochloride
CID 74890092
5-propylimidazolidine-2,4-dione
CID 567619
(3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one
CID 124552453
3,7-dimethyl-1,4-diazepan-5-one
CID 55287243
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
1-cyclopropyl-3-propylpiperazin-2-one;hydrochloride
CID 178039899
3-(1-adamantyl)-5-propylimidazolidine-2,4-dione
CID 43630187
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413
1-(2,4-dimethylcyclohexyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64971821
(3R,6R)-3-ethyl-6-methylpiperidin-2-one
CID 122155636

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-methyl-3-propylpiperazin-2-one?
The IUPAC name of (3S,6S)-6-methyl-3-propylpiperazin-2-one (CID 91195931) is (3S,6S)-6-methyl-3-propylpiperazin-2-one.
What is the SMILES notation for (3S,6S)-6-methyl-3-propylpiperazin-2-one?
The canonical SMILES for (3S,6S)-6-methyl-3-propylpiperazin-2-one is CCC[C@@H]1NC[C@H](C)NC1=O.
What is the InChIKey of (3S,6S)-6-methyl-3-propylpiperazin-2-one?
The InChIKey is QSUVJDCMDWCPKD-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-7-8(11)10-6(2)5-9-7/h6-7,9H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (3S,6S)-6-methyl-3-propylpiperazin-2-one?
(3S,6S)-6-methyl-3-propylpiperazin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-methyl-3-propylpiperazin-2-one is sourced from PubChem (CID 91195931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).