N,4-dibenzhydrylpiperazine-1-carboxamide

C31H31N3O — CID 10115592

IUPACN,4-dibenzhydrylpiperazine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H31N3O/c35-31(32-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)34-23-21-33(22-24-34)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2,(H,32,35)
InChIKeyPPVBMJIAJXVQFX-UHFFFAOYSA-N
MW461.61 g/mol
LogP5.89
Rot. Bonds6

About N,4-dibenzhydrylpiperazine-1-carboxamide

N,4-dibenzhydrylpiperazine-1-carboxamide (PubChem CID 10115592) has the molecular formula C31H31N3O and a molecular weight of 461.61 g/mol. Its IUPAC name is N,4-dibenzhydrylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,4-dibenzhydrylpiperazine-1-carboxamide
PubChem CID10115592
Molecular FormulaC31H31N3O
Molecular Weight461.61 g/mol
Exact Mass461.25
IUPAC NameN,4-dibenzhydrylpiperazine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H31N3O/c35-31(32-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)34-23-21-33(22-24-34)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2,(H,32,35)
InChIKeyPPVBMJIAJXVQFX-UHFFFAOYSA-N
XLogP5.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dibenzhydrylpiperazine-1-carboxamide?
The IUPAC name of N,4-dibenzhydrylpiperazine-1-carboxamide (CID 10115592) is N,4-dibenzhydrylpiperazine-1-carboxamide.
What is the SMILES notation for N,4-dibenzhydrylpiperazine-1-carboxamide?
The canonical SMILES for N,4-dibenzhydrylpiperazine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N,4-dibenzhydrylpiperazine-1-carboxamide?
The InChIKey is PPVBMJIAJXVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O/c35-31(32-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)34-23-21-33(22-24-34)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2,(H,32,35).
What are the key properties of N,4-dibenzhydrylpiperazine-1-carboxamide?
N,4-dibenzhydrylpiperazine-1-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibenzhydrylpiperazine-1-carboxamide is sourced from PubChem (CID 10115592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).