1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide

C20H21N5O2 — CID 23820519

IUPAC1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21N5O2/c21-14-16-6-8-18(9-7-16)23-20(27)25-12-10-24(11-13-25)19(26)22-15-17-4-2-1-3-5-17/h1-9H,10-13,15H2,(H,22,26)(H,23,27)
InChIKeyBZGKMMFZFVPQFR-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.62
Rot. Bonds3

About 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide

1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide (PubChem CID 23820519) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
PubChem CID23820519
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21N5O2/c21-14-16-6-8-18(9-7-16)23-20(27)25-12-10-24(11-13-25)19(26)22-15-17-4-2-1-3-5-17/h1-9H,10-13,15H2,(H,22,26)(H,23,27)
InChIKeyBZGKMMFZFVPQFR-UHFFFAOYSA-N
XLogP2.62
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
1-N-(4-cyanophenyl)-4-N-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide
CID 23852889
1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide
CID 136557306
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
N-benzylazonane-1-carboxamide
CID 130689649
N-[(4-cyanophenyl)methyl]-N'-phenyloxamide
CID 166188116
N-[(4-cyanophenyl)methyl]-4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carboxamide
CID 122567884
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113110702

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide (CID 23820519) is 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide is N#Cc1ccc(NC(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide?
The InChIKey is BZGKMMFZFVPQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-14-16-6-8-18(9-7-16)23-20(27)25-12-10-24(11-13-25)19(26)22-15-17-4-2-1-3-5-17/h1-9H,10-13,15H2,(H,22,26)(H,23,27).
What are the key properties of 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide?
1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide is sourced from PubChem (CID 23820519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).