2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile

C17H18N4O2 — CID 91767952

IUPAC2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile
SMILESCc1nc(CC2CCN(C(=O)c3ccccc3C#N)CC2)no1
InChIInChI=1S/C17H18N4O2/c1-12-19-16(20-23-12)10-13-6-8-21(9-7-13)17(22)15-5-3-2-4-14(15)11-18/h2-5,13H,6-10H2,1H3
InChIKeyMMSYRRATSADVPC-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.34
Rot. Bonds3

About 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile

2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile (PubChem CID 91767952) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile
PubChem CID91767952
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile
SMILESCc1nc(CC2CCN(C(=O)c3ccccc3C#N)CC2)no1
InChIInChI=1S/C17H18N4O2/c1-12-19-16(20-23-12)10-13-6-8-21(9-7-13)17(22)15-5-3-2-4-14(15)11-18/h2-5,13H,6-10H2,1H3
InChIKeyMMSYRRATSADVPC-UHFFFAOYSA-N
XLogP2.34
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72858587
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 46449097
1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
CID 36708662
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 46516189
6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one
CID 91786288
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
[4-(methylamino)piperidin-1-yl]-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone;hydrochloride
CID 119563137
(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97271353
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 91797759
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 97116461
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076388

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile?
The IUPAC name of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile (CID 91767952) is 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile is Cc1nc(CC2CCN(C(=O)c3ccccc3C#N)CC2)no1.
What is the InChIKey of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile?
The InChIKey is MMSYRRATSADVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-19-16(20-23-12)10-13-6-8-21(9-7-13)17(22)15-5-3-2-4-14(15)11-18/h2-5,13H,6-10H2,1H3.
What are the key properties of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile?
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile has a molecular weight of 310.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 91767952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).