(3R)-3-methyl-4-propan-2-ylpiperazin-2-one

C8H16N2O — CID 176773649

IUPAC(3R)-3-methyl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCNC(=O)[C@H]1C
InChIInChI=1S/C8H16N2O/c1-6(2)10-5-4-9-8(11)7(10)3/h6-7H,4-5H2,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyGKKMPVKAIMRHMO-SSDOTTSWSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds1

About (3R)-3-methyl-4-propan-2-ylpiperazin-2-one

(3R)-3-methyl-4-propan-2-ylpiperazin-2-one (PubChem CID 176773649) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3R)-3-methyl-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-propan-2-ylpiperazin-2-one
PubChem CID176773649
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3R)-3-methyl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCNC(=O)[C@H]1C
InChIInChI=1S/C8H16N2O/c1-6(2)10-5-4-9-8(11)7(10)3/h6-7H,4-5H2,1-3H3,(H,9,11)/t7-/m1/s1
InChIKeyGKKMPVKAIMRHMO-SSDOTTSWSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methylpiperazin-2-one
CID 144979166
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one
CID 63605975
4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one
CID 63594897
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one
CID 63595243
3-methyl-4-(3-methylbutylsulfonyl)piperazin-2-one
CID 63662895
4-ethylsulfinyl-3-methylpiperazin-2-one
CID 131072454
4-[4-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 55216894
2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
CID 63602723

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-propan-2-ylpiperazin-2-one?
The IUPAC name of (3R)-3-methyl-4-propan-2-ylpiperazin-2-one (CID 176773649) is (3R)-3-methyl-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3R)-3-methyl-4-propan-2-ylpiperazin-2-one is CC(C)N1CCNC(=O)[C@H]1C.
What is the InChIKey of (3R)-3-methyl-4-propan-2-ylpiperazin-2-one?
The InChIKey is GKKMPVKAIMRHMO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)10-5-4-9-8(11)7(10)3/h6-7H,4-5H2,1-3H3,(H,9,11)/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-4-propan-2-ylpiperazin-2-one?
(3R)-3-methyl-4-propan-2-ylpiperazin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 176773649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).