1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide

C22H24N3O2+ — CID 8892424

IUPAC1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c23-22(27)16-10-12-25(13-11-16)20(15-6-2-1-3-7-15)21(26)18-14-24-19-9-5-4-8-17(18)19/h1-9,14,16,20,24H,10-13H2,(H2,23,27)/p+1/t20-/m1/s1
InChIKeyZFYMQFSYVZYHMW-HXUWFJFHSA-O
MW362.45 g/mol
LogP1.87
Rot. Bonds5

About 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide

1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide (PubChem CID 8892424) has the molecular formula C22H24N3O2+ and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide
PubChem CID8892424
Molecular FormulaC22H24N3O2+
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC Name1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c23-22(27)16-10-12-25(13-11-16)20(15-6-2-1-3-7-15)21(26)18-14-24-19-9-5-4-8-17(18)19/h1-9,14,16,20,24H,10-13H2,(H2,23,27)/p+1/t20-/m1/s1
InChIKeyZFYMQFSYVZYHMW-HXUWFJFHSA-O
XLogP1.87
TPSA80.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate
CID 9356742
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)-2-phenylethanone
CID 9356718
(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone
CID 8893705
2-[4-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazine-1,4-diium-1-yl]-N-propylacetamide
CID 8774223
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
2-amino-2-hydroxy-1-(1H-indol-3-yl)ethanone
CID 147638405
1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
CID 117066232
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(1H-indol-3-yl)-2-phenylethanone
CID 42915336
trans-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019706
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8892178
(3-aminocyclobutyl)-(1H-indol-3-yl)methanone
CID 116917713

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide (CID 8892424) is 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1.
What is the InChIKey of 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is ZFYMQFSYVZYHMW-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H23N3O2/c23-22(27)16-10-12-25(13-11-16)20(15-6-2-1-3-7-15)21(26)18-14-24-19-9-5-4-8-17(18)19/h1-9,14,16,20,24H,10-13H2,(H2,23,27)/p+1/t20-/m1/s1.
What are the key properties of 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide?
1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8892424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).