3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile

C14H13ClN4O — CID 172752283

IUPAC3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile
SMILESN#CC1(c2conn2)CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)12-7-17-6-5-14(12,9-16)13-8-20-19-18-13/h1-4,8,12,17H,5-7H2
InChIKeyKNMWOVJWOVWBRC-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.26
Rot. Bonds2

About 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile

3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile (PubChem CID 172752283) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile
PubChem CID172752283
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile
SMILESN#CC1(c2conn2)CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)12-7-17-6-5-14(12,9-16)13-8-20-19-18-13/h1-4,8,12,17H,5-7H2
InChIKeyKNMWOVJWOVWBRC-UHFFFAOYSA-N
XLogP2.26
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79434527
11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane
CID 79434196
6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane
CID 79435047
3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine
CID 79435538
5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79433150
6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
CID 79913284
3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine
CID 114867310
2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile
CID 12720675
5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane
CID 79434074
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
3'-(4-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82855837
5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
CID 79441835

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile (CID 172752283) is 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile is N#CC1(c2conn2)CCNCC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile?
The InChIKey is KNMWOVJWOVWBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)12-7-17-6-5-14(12,9-16)13-8-20-19-18-13/h1-4,8,12,17H,5-7H2.
What are the key properties of 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile?
3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile has a molecular weight of 288.74 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(oxadiazol-4-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 172752283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).