1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one

C13H20N4O — CID 62929719

IUPAC1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one
SMILESCNC1CCCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C13H20N4O/c1-14-10-3-2-7-16(9-10)12-13(18)17(8-6-15-12)11-4-5-11/h6,8,10-11,14H,2-5,7,9H2,1H3
InChIKeyRFZMLEOLKVXRJA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.77
Rot. Bonds3

About 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one

1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one (PubChem CID 62929719) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one
PubChem CID62929719
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one
SMILESCNC1CCCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C13H20N4O/c1-14-10-3-2-7-16(9-10)12-13(18)17(8-6-15-12)11-4-5-11/h6,8,10-11,14H,2-5,7,9H2,1H3
InChIKeyRFZMLEOLKVXRJA-UHFFFAOYSA-N
XLogP0.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 113360798
3-(4-bromopiperidin-1-yl)-1-cyclopropylpyrazin-2-one
CID 80674441
1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 115917389
1-cyclopropyl-3-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62928188
1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one
CID 82996710
3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 62928895
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769
3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128992835
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one (CID 62929719) is 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one is CNC1CCCN(c2nccn(C3CC3)c2=O)C1.
What is the InChIKey of 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one?
The InChIKey is RFZMLEOLKVXRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-10-3-2-7-16(9-10)12-13(18)17(8-6-15-12)11-4-5-11/h6,8,10-11,14H,2-5,7,9H2,1H3.
What are the key properties of 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one?
1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62929719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).