4-phenyl-1-propanoylpiperidine-4-carbonitrile

C15H18N2O — CID 110711521

IUPAC4-phenyl-1-propanoylpiperidine-4-carbonitrile
SMILESCCC(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C15H18N2O/c1-2-14(18)17-10-8-15(12-16,9-11-17)13-6-4-3-5-7-13/h3-7H,2,8-11H2,1H3
InChIKeySLVSZPSZMCLPGL-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.48
Rot. Bonds2

About 4-phenyl-1-propanoylpiperidine-4-carbonitrile

4-phenyl-1-propanoylpiperidine-4-carbonitrile (PubChem CID 110711521) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-phenyl-1-propanoylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1-propanoylpiperidine-4-carbonitrile
PubChem CID110711521
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-phenyl-1-propanoylpiperidine-4-carbonitrile
SMILESCCC(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C15H18N2O/c1-2-14(18)17-10-8-15(12-16,9-11-17)13-6-4-3-5-7-13/h3-7H,2,8-11H2,1H3
InChIKeySLVSZPSZMCLPGL-UHFFFAOYSA-N
XLogP2.48
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-propanoylpiperidine-4-carbonitrile?
The IUPAC name of 4-phenyl-1-propanoylpiperidine-4-carbonitrile (CID 110711521) is 4-phenyl-1-propanoylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-phenyl-1-propanoylpiperidine-4-carbonitrile?
The canonical SMILES for 4-phenyl-1-propanoylpiperidine-4-carbonitrile is CCC(=O)N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-propanoylpiperidine-4-carbonitrile?
The InChIKey is SLVSZPSZMCLPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-14(18)17-10-8-15(12-16,9-11-17)13-6-4-3-5-7-13/h3-7H,2,8-11H2,1H3.
What are the key properties of 4-phenyl-1-propanoylpiperidine-4-carbonitrile?
4-phenyl-1-propanoylpiperidine-4-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-propanoylpiperidine-4-carbonitrile is sourced from PubChem (CID 110711521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).