1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide

C30H28N4O2 — CID 2911265

IUPAC1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide
SMILESO=C(N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N4O2/c35-29(33(25-13-5-1-6-14-25)26-15-7-2-8-16-26)31-21-23-32(24-22-31)30(36)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyNGYTWXMTJVOFHC-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.52
Rot. Bonds4

About 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide

1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide (PubChem CID 2911265) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide
PubChem CID2911265
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide
SMILESO=C(N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N4O2/c35-29(33(25-13-5-1-6-14-25)26-15-7-2-8-16-26)31-21-23-32(24-22-31)30(36)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyNGYTWXMTJVOFHC-UHFFFAOYSA-N
XLogP6.52
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide (CID 2911265) is 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide is O=C(N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide?
The InChIKey is NGYTWXMTJVOFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c35-29(33(25-13-5-1-6-14-25)26-15-7-2-8-16-26)31-21-23-32(24-22-31)30(36)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide?
1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide has a molecular weight of 476.58 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide is sourced from PubChem (CID 2911265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).