1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one

C12H19N3O — CID 121452475

IUPAC1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one
SMILESCc1c(N2CCNC(C)C2)ccc(=O)n1C
InChIInChI=1S/C12H19N3O/c1-9-8-15(7-6-13-9)11-4-5-12(16)14(3)10(11)2/h4-5,9,13H,6-8H2,1-3H3
InChIKeyIKPSYMTVRXCNSZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.49
Rot. Bonds1

About 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one

1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one (PubChem CID 121452475) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one
PubChem CID121452475
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one
SMILESCc1c(N2CCNC(C)C2)ccc(=O)n1C
InChIInChI=1S/C12H19N3O/c1-9-8-15(7-6-13-9)11-4-5-12(16)14(3)10(11)2/h4-5,9,13H,6-8H2,1-3H3
InChIKeyIKPSYMTVRXCNSZ-UHFFFAOYSA-N
XLogP0.49
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099
(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine
CID 24763526
2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 104976116
2-[(3S)-3-methylpiperazin-1-yl]benzoic acid
CID 45073200
5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 144953512
4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445774
4-(3-methylpiperazin-1-yl)-3-nitrobenzonitrile
CID 62478922
8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde
CID 167500134
3-methyl-1-(2-methyl-3-nitrophenyl)piperazine
CID 63076044
(3S)-3-methyl-1-(5-methyl-2-nitrophenyl)piperazine
CID 104977584
3-chloro-4-(3-methylpiperazin-1-yl)benzamide
CID 65449432
3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 66477775

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one (CID 121452475) is 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one is Cc1c(N2CCNC(C)C2)ccc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one?
The InChIKey is IKPSYMTVRXCNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-8-15(7-6-13-9)11-4-5-12(16)14(3)10(11)2/h4-5,9,13H,6-8H2,1-3H3.
What are the key properties of 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one?
1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-(3-methylpiperazin-1-yl)pyridin-2-one is sourced from PubChem (CID 121452475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).