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

C21H30N4O — CID 110412461

IUPACN-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H30N4O/c26-21(23-18-6-2-1-3-7-18)25-14-12-24(13-15-25)11-10-17-16-22-20-9-5-4-8-19(17)20/h4-5,8-9,16,18,22H,1-3,6-7,10-15H2,(H,23,26)
InChIKeyMYLWQGURWYIOLH-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.37
Rot. Bonds4

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

N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 110412461) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID110412461
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H30N4O/c26-21(23-18-6-2-1-3-7-18)25-14-12-24(13-15-25)11-10-17-16-22-20-9-5-4-8-19(17)20/h4-5,8-9,16,18,22H,1-3,6-7,10-15H2,(H,23,26)
InChIKeyMYLWQGURWYIOLH-UHFFFAOYSA-N
XLogP3.37
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 165485504
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide
CID 123331590
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
N-cycloheptyl-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823490
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109798
N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109794

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (CID 110412461) is N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is MYLWQGURWYIOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c26-21(23-18-6-2-1-3-7-18)25-14-12-24(13-15-25)11-10-17-16-22-20-9-5-4-8-19(17)20/h4-5,8-9,16,18,22H,1-3,6-7,10-15H2,(H,23,26).
What are the key properties of N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 110412461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).