2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one

C26H30N6O4 — CID 50781610

IUPAC2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)nc2cccnc21
InChIInChI=1S/C26H30N6O4/c1-29-23-20(5-2-8-27-23)28-24(26(29)34)32-9-3-4-19(16-32)25(33)31-12-10-30(11-13-31)15-18-6-7-21-22(14-18)36-17-35-21/h2,5-8,14,19H,3-4,9-13,15-17H2,1H3
InChIKeyDRERNBFMKSIEAU-UHFFFAOYSA-N
MW490.56 g/mol
LogP1.62
Rot. Bonds4

About 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one

2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 50781610) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID50781610
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)nc2cccnc21
InChIInChI=1S/C26H30N6O4/c1-29-23-20(5-2-8-27-23)28-24(26(29)34)32-9-3-4-19(16-32)25(33)31-12-10-30(11-13-31)15-18-6-7-21-22(14-18)36-17-35-21/h2,5-8,14,19H,3-4,9-13,15-17H2,1H3
InChIKeyDRERNBFMKSIEAU-UHFFFAOYSA-N
XLogP1.62
TPSA93.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118732
2-[3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one
CID 50781430
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
4-[(4-methylphenyl)methyl]-2-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781639
4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 92889225
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 95073386
1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 113005145
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(6R)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
CID 95111924
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912
(5S)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
CID 28955608
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one (CID 50781610) is 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one is Cn1c(=O)c(N2CCCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)nc2cccnc21.
What is the InChIKey of 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is DRERNBFMKSIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-29-23-20(5-2-8-27-23)28-24(26(29)34)32-9-3-4-19(16-32)25(33)31-12-10-30(11-13-31)15-18-6-7-21-22(14-18)36-17-35-21/h2,5-8,14,19H,3-4,9-13,15-17H2,1H3.
What are the key properties of 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one?
2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 490.56 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-4-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 50781610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).