4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide

C24H30N6O2 — CID 24730629

IUPAC4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide
SMILESCN(C)CCNC(=O)C1CN(Cc2ccccc2)CCN1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C24H30N6O2/c1-28(2)12-11-26-23(31)22-18-29(17-19-7-4-3-5-8-19)13-14-30(22)24(32)27-21-10-6-9-20(15-21)16-25/h3-10,15,22H,11-14,17-18H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyCEDTTXRSPZFSFW-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.95
Rot. Bonds7

About 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide

4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide (PubChem CID 24730629) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide
PubChem CID24730629
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide
SMILESCN(C)CCNC(=O)C1CN(Cc2ccccc2)CCN1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C24H30N6O2/c1-28(2)12-11-26-23(31)22-18-29(17-19-7-4-3-5-8-19)13-14-30(22)24(32)27-21-10-6-9-20(15-21)16-25/h3-10,15,22H,11-14,17-18H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyCEDTTXRSPZFSFW-UHFFFAOYSA-N
XLogP1.95
TPSA91.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide
CID 24730622
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107615
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
N-(3-cyanophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113109998
(2R)-4-benzyl-N-[3-(ethoxymethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 166231411
(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95290519
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31692602

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide?
The IUPAC name of 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide (CID 24730629) is 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide.
What is the SMILES notation for 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide?
The canonical SMILES for 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide is CN(C)CCNC(=O)C1CN(Cc2ccccc2)CCN1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide?
The InChIKey is CEDTTXRSPZFSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-28(2)12-11-26-23(31)22-18-29(17-19-7-4-3-5-8-19)13-14-30(22)24(32)27-21-10-6-9-20(15-21)16-25/h3-10,15,22H,11-14,17-18H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide?
4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide has a molecular weight of 434.54 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide is sourced from PubChem (CID 24730629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).