2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile

C12H13N3O2 — CID 117096458

IUPAC2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC1CCNC(=O)C1
InChIInChI=1S/C12H13N3O2/c13-7-10-2-1-4-15-12(10)17-8-9-3-5-14-11(16)6-9/h1-2,4,9H,3,5-6,8H2,(H,14,16)
InChIKeyMIBHUIWQHRSXAO-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.86
Rot. Bonds3

About 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile

2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile (PubChem CID 117096458) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile
PubChem CID117096458
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC1CCNC(=O)C1
InChIInChI=1S/C12H13N3O2/c13-7-10-2-1-4-15-12(10)17-8-9-3-5-14-11(16)6-9/h1-2,4,9H,3,5-6,8H2,(H,14,16)
InChIKeyMIBHUIWQHRSXAO-UHFFFAOYSA-N
XLogP0.86
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873922
2-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873514
1-(piperidin-4-ylmethoxy)isoquinoline-5-carbonitrile
CID 82569770
4-[(2-oxopiperidin-4-yl)methoxy]benzaldehyde
CID 117052632
3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile
CID 107061650
2-(piperidin-4-ylmethylsulfonyl)pyridine-3-carbonitrile
CID 71645790
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873510
(4R)-4-(methoxymethyl)piperidin-2-one
CID 124538037
2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile
CID 62807946
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873681
2-(piperidin-4-ylmethoxy)pyridin-3-ol
CID 71646429
2-[[1-(aminomethyl)cyclopropyl]methoxy]pyridine-3-carbonitrile
CID 117096438

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile (CID 117096458) is 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile is N#Cc1cccnc1OCC1CCNC(=O)C1.
What is the InChIKey of 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile?
The InChIKey is MIBHUIWQHRSXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-10-2-1-4-15-12(10)17-8-9-3-5-14-11(16)6-9/h1-2,4,9H,3,5-6,8H2,(H,14,16).
What are the key properties of 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile?
2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile has a molecular weight of 231.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 117096458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).