2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one

C12H17N3O2 — CID 82376830

IUPAC2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
SMILESO=C1Nc2cocc2NC1CN1CCCCC1
InChIInChI=1S/C12H17N3O2/c16-12-9(6-15-4-2-1-3-5-15)13-10-7-17-8-11(10)14-12/h7-9,13H,1-6H2,(H,14,16)
InChIKeyJZOGIDZWJOCAQM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.50
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one

2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one (PubChem CID 82376830) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
PubChem CID82376830
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
SMILESO=C1Nc2cocc2NC1CN1CCCCC1
InChIInChI=1S/C12H17N3O2/c16-12-9(6-15-4-2-1-3-5-15)13-10-7-17-8-11(10)14-12/h7-9,13H,1-6H2,(H,14,16)
InChIKeyJZOGIDZWJOCAQM-UHFFFAOYSA-N
XLogP1.50
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-yl)-N-piperidin-4-ylacetamide
CID 70038339
tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate
CID 71145360
2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 92546001
1-(Furan-3-yl)piperazin-2-one
CID 131062759
ethane;N-methyl-N-[4-(methylamino)furan-3-yl]prop-2-enamide
CID 144268433
N-[4-(cyclopropylamino)furan-3-yl]-N-ethyl-2-methylpropanamide
CID 162779667
N-(furan-3-yl)-1-methylpiperidin-3-amine
CID 163213114
N-[4-(cyclopropylamino)furan-3-yl]-N-ethylacetamide
CID 170424174
N-[4-(cyclopropylamino)furan-3-yl]-N-ethylpropanamide
CID 170424175
(9S)-11-propan-2-yl-3-oxa-1,7,11-triazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-8-one
CID 172185595
(9R)-11-propan-2-yl-3-oxa-1,7,11-triazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-8-one
CID 172185627
11-Propan-2-yl-3-oxa-1,7,11-triazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-8-one
CID 172185747

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The IUPAC name of 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one (CID 82376830) is 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one is O=C1Nc2cocc2NC1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
The InChIKey is JZOGIDZWJOCAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12-9(6-15-4-2-1-3-5-15)13-10-7-17-8-11(10)14-12/h7-9,13H,1-6H2,(H,14,16).
What are the key properties of 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one?
2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one is sourced from PubChem (CID 82376830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).