2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile

C18H25N3O — CID 126873922

IUPAC2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C18H25N3O/c19-12-17-6-3-9-20-18(17)22-14-16-7-10-21(11-8-16)13-15-4-1-2-5-15/h3,6,9,15-16H,1-2,4-5,7-8,10-11,13-14H2
InChIKeyYETVWWKHOWUHID-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.23
Rot. Bonds5

About 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile

2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 126873922) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
PubChem CID126873922
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C18H25N3O/c19-12-17-6-3-9-20-18(17)22-14-16-7-10-21(11-8-16)13-15-4-1-2-5-15/h3,6,9,15-16H,1-2,4-5,7-8,10-11,13-14H2
InChIKeyYETVWWKHOWUHID-UHFFFAOYSA-N
XLogP3.23
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873514
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873654
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873643
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873681
2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile
CID 117096458
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873510
2-[4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 124850327
2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile
CID 62807946
[2-(cyclopentylmethoxy)-3-pyridinyl]methanol
CID 66323302
tert-butyl (2S)-2-[(3-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 97173574
3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871
[2-(cyclohexylmethoxy)-3-pyridinyl]methanol
CID 62383389

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile (CID 126873922) is 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile is N#Cc1cccnc1OCC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is YETVWWKHOWUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c19-12-17-6-3-9-20-18(17)22-14-16-7-10-21(11-8-16)13-15-4-1-2-5-15/h3,6,9,15-16H,1-2,4-5,7-8,10-11,13-14H2.
What are the key properties of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 299.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 126873922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).