N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide

C32H30N2O — CID 10204752

IUPACN-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H30N2O/c35-32(33-31(28-17-9-3-10-18-28)29-19-11-4-12-20-29)34-23-21-27(22-24-34)30(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,31H,21-24H2,(H,33,35)
InChIKeyXIJFDHZYIVDPJU-UHFFFAOYSA-N
MW458.61 g/mol
LogP7.08
Rot. Bonds5

About N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide

N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide (PubChem CID 10204752) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide
PubChem CID10204752
Molecular FormulaC32H30N2O
Molecular Weight458.61 g/mol
Exact Mass458.24
IUPAC NameN-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H30N2O/c35-32(33-31(28-17-9-3-10-18-28)29-19-11-4-12-20-29)34-23-21-27(22-24-34)30(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,31H,21-24H2,(H,33,35)
InChIKeyXIJFDHZYIVDPJU-UHFFFAOYSA-N
XLogP7.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide (CID 10204752) is N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide?
The InChIKey is XIJFDHZYIVDPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O/c35-32(33-31(28-17-9-3-10-18-28)29-19-11-4-12-20-29)34-23-21-27(22-24-34)30(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,31H,21-24H2,(H,33,35).
What are the key properties of N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide?
N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 7.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide is sourced from PubChem (CID 10204752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).