(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide

C18H23N3O3 — CID 129346826

IUPAC(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@](O)(C(=O)NCCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C18H23N3O3/c1-13(22)21-10-2-7-18(24,12-21)17(23)20-8-5-14-3-4-16-15(11-14)6-9-19-16/h3-4,6,9,11,19,24H,2,5,7-8,10,12H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyPXTLAUGPIZLGLT-GOSISDBHSA-N
MW329.40 g/mol
LogP1.20
Rot. Bonds4

About (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide

(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 129346826) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID129346826
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@](O)(C(=O)NCCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C18H23N3O3/c1-13(22)21-10-2-7-18(24,12-21)17(23)20-8-5-14-3-4-16-15(11-14)6-9-19-16/h3-4,6,9,11,19,24H,2,5,7-8,10,12H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyPXTLAUGPIZLGLT-GOSISDBHSA-N
XLogP1.20
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
CID 129346561
1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987481
1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122013333
1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987228
3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide
CID 136540342
(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129345760
(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129485088
1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122013321
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129491669
(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129483290

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide (CID 129346826) is (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@](O)(C(=O)NCCc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is PXTLAUGPIZLGLT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(22)21-10-2-7-18(24,12-21)17(23)20-8-5-14-3-4-16-15(11-14)6-9-19-16/h3-4,6,9,11,19,24H,2,5,7-8,10,12H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide?
(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 129346826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).