4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile

C18H22N2O — CID 174892501

IUPAC4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile
SMILESCC1CCC1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H22N2O/c1-13-2-7-17(13)18(21)20-10-8-16(9-11-20)15-5-3-14(12-19)4-6-15/h3-6,13,16-17H,2,7-11H2,1H3
InChIKeyJZJCJPWPWCERDP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.31
Rot. Bonds2

About 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile

4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile (PubChem CID 174892501) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile
PubChem CID174892501
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile
SMILESCC1CCC1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H22N2O/c1-13-2-7-17(13)18(21)20-10-8-16(9-11-20)15-5-3-14(12-19)4-6-15/h3-6,13,16-17H,2,7-11H2,1H3
InChIKeyJZJCJPWPWCERDP-UHFFFAOYSA-N
XLogP3.31
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(oxirane-2-carbonyl)piperidin-4-yl]benzonitrile
CID 154880231
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
4-[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 128980853
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
CID 130216383
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
4-(1-acetylazetidin-3-yl)benzonitrile
CID 123882801
6-[1-(piperidine-4-carbonyl)piperidin-4-yl]naphthalene-2-carbonitrile
CID 118639649
4-[1-[3-(2,5-dimethyl-2,3-dihydro-1H-imidazol-4-yl)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 138717615
methyl 4-[[4-(4-cyanophenyl)piperidine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate
CID 54402631
N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide
CID 175281300
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 68943849

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile (CID 174892501) is 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile is CC1CCC1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile?
The InChIKey is JZJCJPWPWCERDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-2-7-17(13)18(21)20-10-8-16(9-11-20)15-5-3-14(12-19)4-6-15/h3-6,13,16-17H,2,7-11H2,1H3.
What are the key properties of 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile?
4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile has a molecular weight of 282.39 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile is sourced from PubChem (CID 174892501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).