2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile

C18H17N3O2 — CID 122516236

IUPAC2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(O[C@H]2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C18H17N3O2/c19-12-14-8-9-20-17(11-14)23-16-7-4-10-21(13-16)18(22)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,13H2/t16-/m0/s1
InChIKeyNDRWWJGDQIHRLE-INIZCTEOSA-N
MW307.35 g/mol
LogP2.64
Rot. Bonds3

About 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile

2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122516236) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122516236
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(O[C@H]2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C18H17N3O2/c19-12-14-8-9-20-17(11-14)23-16-7-4-10-21(13-16)18(22)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,13H2/t16-/m0/s1
InChIKeyNDRWWJGDQIHRLE-INIZCTEOSA-N
XLogP2.64
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-(cyclohexa-1,5-diene-1-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 130393610
[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone
CID 122516201
2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252310
3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650587
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122252200
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252291
2-[1-(2,2-diphenylacetyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252365
2-cyclobutyloxypyridine-4-carbonitrile
CID 62140074
2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252500
2-[1-[2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 122243431
2-cycloheptyloxypyridine-4-carbonitrile
CID 61071944

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile (CID 122516236) is 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(O[C@H]2CCCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is NDRWWJGDQIHRLE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-12-14-8-9-20-17(11-14)23-16-7-4-10-21(13-16)18(22)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,13H2/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile?
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122516236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).