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

C21H25N5O — CID 113108556

IUPAC4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccnc1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H25N5O/c27-21(24-15-17-4-3-8-22-14-17)26-12-10-25(11-13-26)9-7-18-16-23-20-6-2-1-5-19(18)20/h1-6,8,14,16,23H,7,9-13,15H2,(H,24,27)
InChIKeyGGDWLTMENPWFLC-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.63
Rot. Bonds5

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

4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108556) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID113108556
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1cccnc1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H25N5O/c27-21(24-15-17-4-3-8-22-14-17)26-12-10-25(11-13-26)9-7-18-16-23-20-6-2-1-5-19(18)20/h1-6,8,14,16,23H,7,9-13,15H2,(H,24,27)
InChIKeyGGDWLTMENPWFLC-UHFFFAOYSA-N
XLogP2.63
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106929
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
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
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 53145455
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 113108556) is 4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide is O=C(NCc1cccnc1)N1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is GGDWLTMENPWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(24-15-17-4-3-8-22-14-17)26-12-10-25(11-13-26)9-7-18-16-23-20-6-2-1-5-19(18)20/h1-6,8,14,16,23H,7,9-13,15H2,(H,24,27).
What are the key properties of 4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).