2-benzhydrylpiperazine-1,3-dicarboxamide

C19H22N4O2 — CID 67012309

IUPAC2-benzhydrylpiperazine-1,3-dicarboxamide
SMILESNC(=O)C1NCCN(C(N)=O)C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N4O2/c20-18(24)16-17(23(19(21)25)12-11-22-16)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,22H,11-12H2,(H2,20,24)(H2,21,25)
InChIKeyJKGXQLYJVPGMNO-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.02
Rot. Bonds4

About 2-benzhydrylpiperazine-1,3-dicarboxamide

2-benzhydrylpiperazine-1,3-dicarboxamide (PubChem CID 67012309) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-benzhydrylpiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name2-benzhydrylpiperazine-1,3-dicarboxamide
PubChem CID67012309
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-benzhydrylpiperazine-1,3-dicarboxamide
SMILESNC(=O)C1NCCN(C(N)=O)C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N4O2/c20-18(24)16-17(23(19(21)25)12-11-22-16)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,22H,11-12H2,(H2,20,24)(H2,21,25)
InChIKeyJKGXQLYJVPGMNO-UHFFFAOYSA-N
XLogP1.02
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylpiperazine-1,3-dicarboxamide?
The IUPAC name of 2-benzhydrylpiperazine-1,3-dicarboxamide (CID 67012309) is 2-benzhydrylpiperazine-1,3-dicarboxamide.
What is the SMILES notation for 2-benzhydrylpiperazine-1,3-dicarboxamide?
The canonical SMILES for 2-benzhydrylpiperazine-1,3-dicarboxamide is NC(=O)C1NCCN(C(N)=O)C1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylpiperazine-1,3-dicarboxamide?
The InChIKey is JKGXQLYJVPGMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-18(24)16-17(23(19(21)25)12-11-22-16)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,22H,11-12H2,(H2,20,24)(H2,21,25).
What are the key properties of 2-benzhydrylpiperazine-1,3-dicarboxamide?
2-benzhydrylpiperazine-1,3-dicarboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylpiperazine-1,3-dicarboxamide is sourced from PubChem (CID 67012309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).