1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one

C12H16N4O2 — CID 29149627

IUPAC1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
SMILESCNc1ncccc1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C12H16N4O2/c1-13-11-9(4-3-5-14-11)12(18)16-7-6-15(2)10(17)8-16/h3-5H,6-8H2,1-2H3,(H,13,14)
InChIKeyPOAWERUCMUDMLU-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.04
Rot. Bonds2

About 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one

1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one (PubChem CID 29149627) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
PubChem CID29149627
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
SMILESCNc1ncccc1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C12H16N4O2/c1-13-11-9(4-3-5-14-11)12(18)16-7-6-15(2)10(17)8-16/h3-5H,6-8H2,1-2H3,(H,13,14)
InChIKeyPOAWERUCMUDMLU-UHFFFAOYSA-N
XLogP0.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-fluoroanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 75422007
4-(2-chloropyridine-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102848032
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 91795630
[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 50956103
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 146093987
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 25269445
1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615092
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one (CID 29149627) is 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one is CNc1ncccc1C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is POAWERUCMUDMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-13-11-9(4-3-5-14-11)12(18)16-7-6-15(2)10(17)8-16/h3-5H,6-8H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one?
1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 248.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 29149627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).