4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide

C19H18FN3O — CID 3249682

IUPAC4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C19H18FN3O/c20-16-8-4-5-9-17(16)22-18(24)23-12-10-19(14-21,11-13-23)15-6-2-1-3-7-15/h1-9H,10-13H2,(H,22,24)
InChIKeyPUXBCUNXCIXBBN-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.91
Rot. Bonds2

About 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide

4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide (PubChem CID 3249682) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
PubChem CID3249682
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C19H18FN3O/c20-16-8-4-5-9-17(16)22-18(24)23-12-10-19(14-21,11-13-23)15-6-2-1-3-7-15/h1-9H,10-13H2,(H,22,24)
InChIKeyPUXBCUNXCIXBBN-UHFFFAOYSA-N
XLogP3.91
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide (CID 3249682) is 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide is N#CC1(c2ccccc2)CCN(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide?
The InChIKey is PUXBCUNXCIXBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-8-4-5-9-17(16)22-18(24)23-12-10-19(14-21,11-13-23)15-6-2-1-3-7-15/h1-9H,10-13H2,(H,22,24).
What are the key properties of 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide?
4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 3249682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).