4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide

C15H21N4O2+ — CID 7615912

IUPAC4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)N1CC[NH+](CCO)CC1
InChIInChI=1S/C15H20N4O2/c20-10-9-18-5-7-19(8-6-18)15(21)17-14-11-16-13-4-2-1-3-12(13)14/h1-4,11,16,20H,5-10H2,(H,17,21)/p+1
InChIKeyPGXFALBUTXWLHQ-UHFFFAOYSA-O
MW289.36 g/mol
LogP-0.11
Rot. Bonds3

About 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide

4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide (PubChem CID 7615912) has the molecular formula C15H21N4O2+ and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide
PubChem CID7615912
Molecular FormulaC15H21N4O2+
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)N1CC[NH+](CCO)CC1
InChIInChI=1S/C15H20N4O2/c20-10-9-18-5-7-19(8-6-18)15(21)17-14-11-16-13-4-2-1-3-12(13)14/h1-4,11,16,20H,5-10H2,(H,17,21)/p+1
InChIKeyPGXFALBUTXWLHQ-UHFFFAOYSA-O
XLogP-0.11
TPSA72.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7615879
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CID 7615909
N-(1H-indol-3-yl)-4-phenylpiperazine-1-carboxamide
CID 7595792
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
CID 7595794
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
1H-indol-3-ylcarbamic acid
CID 66672709
1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615867
(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide
CID 7615898
1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 115182528
1-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethane-1,2-dione
CID 7038521
1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone
CID 6953992
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide (CID 7615912) is 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide is O=C(Nc1c[nH]c2ccccc12)N1CC[NH+](CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide?
The InChIKey is PGXFALBUTXWLHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O2/c20-10-9-18-5-7-19(8-6-18)15(21)17-14-11-16-13-4-2-1-3-12(13)14/h1-4,11,16,20H,5-10H2,(H,17,21)/p+1.
What are the key properties of 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide?
4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide has a molecular weight of 289.36 g/mol, XLogP of -0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide is sourced from PubChem (CID 7615912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).