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

C21H24N4O3 — CID 38159589

IUPACN-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(OCCN2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-19-6-8-20(9-7-19)28-15-14-24-10-12-25(13-11-24)21(26)23-18-4-2-17(16-22)3-5-18/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyHKWPOXRVTQXHPR-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.80
Rot. Bonds6

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

N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 38159589) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID38159589
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(OCCN2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-19-6-8-20(9-7-19)28-15-14-24-10-12-25(13-11-24)21(26)23-18-4-2-17(16-22)3-5-18/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyHKWPOXRVTQXHPR-UHFFFAOYSA-N
XLogP2.80
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110843
N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113110702
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110261
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 9398842
N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10227162
N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113104323
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110243
4-[(4-cyanophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 8658135

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (CID 38159589) is N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is COc1ccc(OCCN2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is HKWPOXRVTQXHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-19-6-8-20(9-7-19)28-15-14-24-10-12-25(13-11-24)21(26)23-18-4-2-17(16-22)3-5-18/h2-9H,10-15H2,1H3,(H,23,26).
What are the key properties of N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 38159589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).