4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one

C13H21N3O — CID 166036192

IUPAC4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(N2CCN[C@@H](C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-9(2)12-6-11(7-13(17)15-12)16-5-4-14-10(3)8-16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyFKCMNWAHQIQTHJ-JTQLQIEISA-N
MW235.33 g/mol
LogP1.30
Rot. Bonds2

About 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one

4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 166036192) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID166036192
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(N2CCN[C@@H](C)C2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-9(2)12-6-11(7-13(17)15-12)16-5-4-14-10(3)8-16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyFKCMNWAHQIQTHJ-JTQLQIEISA-N
XLogP1.30
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(3-propan-2-ylphenyl)piperazine
CID 20814161
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
1-(3-fluoro-5-methylphenyl)-3-methylpiperazine
CID 79047451
(3R)-1-(3-chlorophenyl)-3-methylpiperazine
CID 10822374
3-methyl-1-naphthalen-2-ylpiperazine
CID 55104948
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine
CID 116700925
4-(3-methylpiperazin-1-yl)aniline
CID 23287543
(3S,4S)-4-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112128
(3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine
CID 70274970
1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine
CID 138530462
5-[(3S)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyrimidine
CID 170612877
(3S)-1-(3-iodophenyl)-3-methylpiperazine
CID 142093679

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one (CID 166036192) is 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1cc(N2CCN[C@@H](C)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is FKCMNWAHQIQTHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)12-6-11(7-13(17)15-12)16-5-4-14-10(3)8-16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one?
4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 166036192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).