(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide

C19H26N2O3 — CID 129485088

IUPAC(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@](O)(C(=O)NCCC2Cc3ccccc3C2)C1
InChIInChI=1S/C19H26N2O3/c1-14(22)21-10-4-8-19(24,13-21)18(23)20-9-7-15-11-16-5-2-3-6-17(16)12-15/h2-3,5-6,15,24H,4,7-13H2,1H3,(H,20,23)/t19-/m1/s1
InChIKeyWRYBWCIJRUPOOX-LJQANCHMSA-N
MW330.43 g/mol
LogP1.28
Rot. Bonds4

About (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide

(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129485088) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129485088
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@](O)(C(=O)NCCC2Cc3ccccc3C2)C1
InChIInChI=1S/C19H26N2O3/c1-14(22)21-10-4-8-19(24,13-21)18(23)20-9-7-15-11-16-5-2-3-6-17(16)12-15/h2-3,5-6,15,24H,4,7-13H2,1H3,(H,20,23)/t19-/m1/s1
InChIKeyWRYBWCIJRUPOOX-LJQANCHMSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide (CID 129485088) is (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide is CC(=O)N1CCC[C@](O)(C(=O)NCCC2Cc3ccccc3C2)C1.
What is the InChIKey of (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is WRYBWCIJRUPOOX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(22)21-10-4-8-19(24,13-21)18(23)20-9-7-15-11-16-5-2-3-6-17(16)12-15/h2-3,5-6,15,24H,4,7-13H2,1H3,(H,20,23)/t19-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide?
(3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129485088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).