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

C18H23N3O3 — CID 129346561

IUPAC(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)NCCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C18H23N3O3/c1-13(22)21-10-4-8-18(24,12-21)17(23)19-9-7-15-11-14-5-2-3-6-16(14)20-15/h2-3,5-6,11,20,24H,4,7-10,12H2,1H3,(H,19,23)/t18-/m0/s1
InChIKeyGABCCRTXYRKNGL-SFHVURJKSA-N
MW329.40 g/mol
LogP1.20
Rot. Bonds4

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

(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 129346561) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID129346561
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@](O)(C(=O)NCCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C18H23N3O3/c1-13(22)21-10-4-8-18(24,12-21)17(23)19-9-7-15-11-14-5-2-3-6-16(14)20-15/h2-3,5-6,11,20,24H,4,7-10,12H2,1H3,(H,19,23)/t18-/m0/s1
InChIKeyGABCCRTXYRKNGL-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide (CID 129346561) is (3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@@](O)(C(=O)NCCc2cc3ccccc3[nH]2)C1.
What is the InChIKey of (3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is GABCCRTXYRKNGL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(22)21-10-4-8-18(24,12-21)17(23)19-9-7-15-11-14-5-2-3-6-16(14)20-15/h2-3,5-6,11,20,24H,4,7-10,12H2,1H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-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 (3S)-1-acetyl-3-hydroxy-N-[2-(1H-indol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 129346561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).