1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride

C27H36Cl2N4O — CID 86278233

IUPAC1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.N#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N4O.2ClH/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31;;/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32);2*1H
InChIKeyWNWVWRAQAXFTSO-UHFFFAOYSA-N
MW503.52 g/mol
LogP4.54
Rot. Bonds7

About 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride

1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 86278233) has the molecular formula C27H36Cl2N4O and a molecular weight of 503.52 g/mol. Its IUPAC name is 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID86278233
Molecular FormulaC27H36Cl2N4O
Molecular Weight503.52 g/mol
Exact Mass502.23
IUPAC Name1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.N#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34N4O.2ClH/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31;;/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32);2*1H
InChIKeyWNWVWRAQAXFTSO-UHFFFAOYSA-N
XLogP4.54
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 86278233) is 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride is Cl.Cl.N#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is WNWVWRAQAXFTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O.2ClH/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31;;/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32);2*1H.
What are the key properties of 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride?
1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 503.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 86278233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).