2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile

C21H23N3O2 — CID 139029056

IUPAC2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CCCN(Cc3ccc4c(c3)CCO4)C2)c1
InChIInChI=1S/C21H23N3O2/c22-12-16-5-7-23-21(11-16)26-15-18-2-1-8-24(14-18)13-17-3-4-20-19(10-17)6-9-25-20/h3-5,7,10-11,18H,1-2,6,8-9,13-15H2
InChIKeyWSQPIVAEIRPCES-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.18
Rot. Bonds5

About 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile

2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile (PubChem CID 139029056) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
PubChem CID139029056
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CCCN(Cc3ccc4c(c3)CCO4)C2)c1
InChIInChI=1S/C21H23N3O2/c22-12-16-5-7-23-21(11-16)26-15-18-2-1-8-24(14-18)13-17-3-4-20-19(10-17)6-9-25-20/h3-5,7,10-11,18H,1-2,6,8-9,13-15H2
InChIKeyWSQPIVAEIRPCES-UHFFFAOYSA-N
XLogP3.18
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile with MolForge

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Related Compounds

N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240821
3-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56715718
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 131945300
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92641150
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 113235336
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915626
4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311190
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129007714
2-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
CID 126955003
4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine
CID 155800422
2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163356836

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile (CID 139029056) is 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile is N#Cc1ccnc(OCC2CCCN(Cc3ccc4c(c3)CCO4)C2)c1.
What is the InChIKey of 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
The InChIKey is WSQPIVAEIRPCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-12-16-5-7-23-21(11-16)26-15-18-2-1-8-24(14-18)13-17-3-4-20-19(10-17)6-9-25-20/h3-5,7,10-11,18H,1-2,6,8-9,13-15H2.
What are the key properties of 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile has a molecular weight of 349.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 139029056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).