N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide

C22H23N5O — CID 113109794

IUPACN-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H23N5O/c23-15-17-5-1-3-7-20(17)25-22(28)27-13-11-26(12-14-27)10-9-18-16-24-21-8-4-2-6-19(18)21/h1-8,16,24H,9-14H2,(H,25,28)
InChIKeyVDOHTSXGFTWWEK-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.43
Rot. Bonds4

About N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide

N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 113109794) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID113109794
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H23N5O/c23-15-17-5-1-3-7-20(17)25-22(28)27-13-11-26(12-14-27)10-9-18-16-24-21-8-4-2-6-19(18)21/h1-8,16,24H,9-14H2,(H,25,28)
InChIKeyVDOHTSXGFTWWEK-UHFFFAOYSA-N
XLogP3.43
TPSA75.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109297
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110160
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109798
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (CID 113109794) is N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is N#Cc1ccccc1NC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is VDOHTSXGFTWWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c23-15-17-5-1-3-7-20(17)25-22(28)27-13-11-26(12-14-27)10-9-18-16-24-21-8-4-2-6-19(18)21/h1-8,16,24H,9-14H2,(H,25,28).
What are the key properties of N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).