3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide

C19H24N4O2 — CID 70718721

IUPAC3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)C2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C19H24N4O2/c20-14-19(16-6-2-1-3-7-16)8-11-22(12-9-19)17(24)15-5-4-10-23(13-15)18(21)25/h1-3,6-7,15H,4-5,8-13H2,(H2,21,25)
InChIKeyGVMGDDCOYDJGOL-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.86
Rot. Bonds2

About 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide

3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 70718721) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
PubChem CID70718721
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)C2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C19H24N4O2/c20-14-19(16-6-2-1-3-7-16)8-11-22(12-9-19)17(24)15-5-4-10-23(13-15)18(21)25/h1-3,6-7,15H,4-5,8-13H2,(H2,21,25)
InChIKeyGVMGDDCOYDJGOL-UHFFFAOYSA-N
XLogP1.86
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide (CID 70718721) is 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide is N#CC1(c2ccccc2)CCN(C(=O)C2CCCN(C(N)=O)C2)CC1.
What is the InChIKey of 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is GVMGDDCOYDJGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-14-19(16-6-2-1-3-7-16)8-11-22(12-9-19)17(24)15-5-4-10-23(13-15)18(21)25/h1-3,6-7,15H,4-5,8-13H2,(H2,21,25).
What are the key properties of 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide?
3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 70718721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).