2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C16H21N3O — CID 62355816

IUPAC2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1OCCC1CCCNC1)CCC2
InChIInChI=1S/C16H21N3O/c17-10-14-9-13-4-1-5-15(13)19-16(14)20-8-6-12-3-2-7-18-11-12/h9,12,18H,1-8,11H2
InChIKeySJQDDCHPBZYAOP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 62355816) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID62355816
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1OCCC1CCCNC1)CCC2
InChIInChI=1S/C16H21N3O/c17-10-14-9-13-4-1-5-15(13)19-16(14)20-8-6-12-3-2-7-18-11-12/h9,12,18H,1-8,11H2
InChIKeySJQDDCHPBZYAOP-UHFFFAOYSA-N
XLogP2.21
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55207841
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 102740068
3-nitro-2-(2-piperidin-3-ylethoxy)pyridine-4-carbonitrile
CID 82812623
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244
2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63641993
5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
2-(2-cyclobutylethoxy)quinoline-3-carbonitrile
CID 106201549
2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79464991
2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510855
5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586434
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 62355816) is 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1OCCC1CCCNC1)CCC2.
What is the InChIKey of 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is SJQDDCHPBZYAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-10-14-9-13-4-1-5-15(13)19-16(14)20-8-6-12-3-2-7-18-11-12/h9,12,18H,1-8,11H2.
What are the key properties of 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 62355816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).