3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one

C15H26N4O2 — CID 128976310

IUPAC3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCOCCC(C)NC1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C15H26N4O2/c1-12(6-10-21-3)17-13-5-4-8-19(11-13)14-15(20)18(2)9-7-16-14/h7,9,12-13,17H,4-6,8,10-11H2,1-3H3
InChIKeyZWCMZLQMSHQRKD-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.76
Rot. Bonds6

About 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one

3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 128976310) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID128976310
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCOCCC(C)NC1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C15H26N4O2/c1-12(6-10-21-3)17-13-5-4-8-19(11-13)14-15(20)18(2)9-7-16-14/h7,9,12-13,17H,4-6,8,10-11H2,1-3H3
InChIKeyZWCMZLQMSHQRKD-UHFFFAOYSA-N
XLogP0.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128974893
3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128992835
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129338112
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
2,3-difluoro-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]benzamide
CID 129475393
4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 129476266
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 128967028
3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one (CID 128976310) is 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one is COCCC(C)NC1CCCN(c2nccn(C)c2=O)C1.
What is the InChIKey of 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is ZWCMZLQMSHQRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(6-10-21-3)17-13-5-4-8-19(11-13)14-15(20)18(2)9-7-16-14/h7,9,12-13,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 294.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 128976310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).