N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide

C21H24N4O2 — CID 113109297

IUPACN-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CCN1CCN(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C21H24N4O2/c1-27-20-9-5-3-6-17(20)10-11-24-12-14-25(15-13-24)21(26)23-19-8-4-2-7-18(19)16-22/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyMTNZCZMGMDUHFT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.96
Rot. Bonds5

About N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide

N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109297) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109297
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CCN1CCN(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C21H24N4O2/c1-27-20-9-5-3-6-17(20)10-11-24-12-14-25(15-13-24)21(26)23-19-8-4-2-7-18(19)16-22/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyMTNZCZMGMDUHFT-UHFFFAOYSA-N
XLogP2.96
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110160
N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109794
N-(3,4-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109251
methyl 3-[[4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carbonyl]amino]benzoate
CID 113109289
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
4-[2-(3-chlorophenyl)ethyl]-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113110972
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 110616485
N-(1,3-benzodioxol-5-yl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109293
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394
N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106907

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 113109297) is N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1ccccc1CCN1CCN(C(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is MTNZCZMGMDUHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-20-9-5-3-6-17(20)10-11-24-12-14-25(15-13-24)21(26)23-19-8-4-2-7-18(19)16-22/h2-9H,10-15H2,1H3,(H,23,26).
What are the key properties of N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide?
N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).