N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide

C32H33N3O — CID 11540161

IUPACN,4-dibenzhydryl-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33N3O/c1-33(30(26-14-6-2-7-15-26)27-16-8-3-9-17-27)32(36)35-24-22-34(23-25-35)31(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30-31H,22-25H2,1H3
InChIKeyPFNXWKMMQQIKLC-UHFFFAOYSA-N
MW475.64 g/mol
LogP6.24
Rot. Bonds6

About N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide

N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide (PubChem CID 11540161) has the molecular formula C32H33N3O and a molecular weight of 475.64 g/mol. Its IUPAC name is N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,4-dibenzhydryl-N-methylpiperazine-1-carboxamide
PubChem CID11540161
Molecular FormulaC32H33N3O
Molecular Weight475.64 g/mol
Exact Mass475.26
IUPAC NameN,4-dibenzhydryl-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33N3O/c1-33(30(26-14-6-2-7-15-26)27-16-8-3-9-17-27)32(36)35-24-22-34(23-25-35)31(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30-31H,22-25H2,1H3
InChIKeyPFNXWKMMQQIKLC-UHFFFAOYSA-N
XLogP6.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide?
The IUPAC name of N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide (CID 11540161) is N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide?
The canonical SMILES for N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide is CN(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide?
The InChIKey is PFNXWKMMQQIKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O/c1-33(30(26-14-6-2-7-15-26)27-16-8-3-9-17-27)32(36)35-24-22-34(23-25-35)31(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30-31H,22-25H2,1H3.
What are the key properties of N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide?
N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide has a molecular weight of 475.64 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibenzhydryl-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 11540161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).