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

C13H21N3O — CID 82377190

IUPAC1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine
SMILESCN1CC(CN2CCCCC2)Nc2cocc21
InChIInChI=1S/C13H21N3O/c1-15-7-11(8-16-5-3-2-4-6-16)14-12-9-17-10-13(12)15/h9-11,14H,2-8H2,1H3
InChIKeyUKRVMAZURPIGOU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds2

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

1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine (PubChem CID 82377190) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine
PubChem CID82377190
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine
SMILESCN1CC(CN2CCCCC2)Nc2cocc21
InChIInChI=1S/C13H21N3O/c1-15-7-11(8-16-5-3-2-4-6-16)14-12-9-17-10-13(12)15/h9-11,14H,2-8H2,1H3
InChIKeyUKRVMAZURPIGOU-UHFFFAOYSA-N
XLogP2.00
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,4-N-dimethylfuran-3,4-diamine
CID 21099945
1-(Furan-3-yl)-2-(2-methylpropyl)piperazine
CID 59674821
N-(furan-3-yl)-N-piperidin-4-ylacetamide
CID 70038339
1-(Furan-3-yl)-2-methylpiperazine
CID 70574891
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
4-N-dodecyl-3-N,3-N-dimethylfuran-3,4-diamine
CID 140081847
Ethane;1-(furan-3-yl)piperazine;methoxyethane
CID 142245666
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
1,4-dimethylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]
CID 170608196

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine?
The IUPAC name of 1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine (CID 82377190) is 1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine.
What is the SMILES notation for 1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine?
The canonical SMILES for 1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine is CN1CC(CN2CCCCC2)Nc2cocc21.
What is the InChIKey of 1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine?
The InChIKey is UKRVMAZURPIGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-7-11(8-16-5-3-2-4-6-16)14-12-9-17-10-13(12)15/h9-11,14H,2-8H2,1H3.
What are the key properties of 1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine?
1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine has a molecular weight of 235.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine is sourced from PubChem (CID 82377190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).