(3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

C18H25N4O2+ — CID 8546860

IUPAC(3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H24N4O2/c19-18(24)14-4-3-9-22(11-14)12-17(23)20-8-7-13-10-21-16-6-2-1-5-15(13)16/h1-2,5-6,10,14,21H,3-4,7-9,11-12H2,(H2,19,24)(H,20,23)/p+1/t14-/m1/s1
InChIKeyJNQOVBOKMQSYOP-CQSZACIVSA-O
MW329.42 g/mol
LogP-0.39
Rot. Bonds6

About (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

(3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide (PubChem CID 8546860) has the molecular formula C18H25N4O2+ and a molecular weight of 329.42 g/mol. Its IUPAC name is (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
PubChem CID8546860
Molecular FormulaC18H25N4O2+
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name(3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H24N4O2/c19-18(24)14-4-3-9-22(11-14)12-17(23)20-8-7-13-10-21-16-6-2-1-5-15(13)16/h1-2,5-6,10,14,21H,3-4,7-9,11-12H2,(H2,19,24)(H,20,23)/p+1/t14-/m1/s1
InChIKeyJNQOVBOKMQSYOP-CQSZACIVSA-O
XLogP-0.39
TPSA92.42 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide with MolForge

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Related Compounds

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8545802
N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8596498
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The IUPAC name of (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide (CID 8546860) is (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide is NC(=O)[C@@H]1CCC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)C1.
What is the InChIKey of (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
The InChIKey is JNQOVBOKMQSYOP-CQSZACIVSA-O. The full InChI is InChI=1S/C18H24N4O2/c19-18(24)14-4-3-9-22(11-14)12-17(23)20-8-7-13-10-21-16-6-2-1-5-15(13)16/h1-2,5-6,10,14,21H,3-4,7-9,11-12H2,(H2,19,24)(H,20,23)/p+1/t14-/m1/s1.
What are the key properties of (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide?
(3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide has a molecular weight of 329.42 g/mol, XLogP of -0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 8546860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).