1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile

C18H22N2O — CID 110711530

IUPAC1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H22N2O/c19-14-18(16-8-2-1-3-9-16)10-12-20(13-11-18)17(21)15-6-4-5-7-15/h1-3,8-9,15H,4-7,10-13H2
InChIKeyJTFDTTYKMIQBOY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.26
Rot. Bonds2

About 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile

1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 110711530) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
PubChem CID110711530
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H22N2O/c19-14-18(16-8-2-1-3-9-16)10-12-20(13-11-18)17(21)15-6-4-5-7-15/h1-3,8-9,15H,4-7,10-13H2
InChIKeyJTFDTTYKMIQBOY-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile (CID 110711530) is 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is JTFDTTYKMIQBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-14-18(16-8-2-1-3-9-16)10-12-20(13-11-18)17(21)15-6-4-5-7-15/h1-3,8-9,15H,4-7,10-13H2.
What are the key properties of 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile?
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 110711530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).