[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone

C19H24N2O3 — CID 97216081

IUPAC[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3cc[nH]c3c1)CC2
InChIInChI=1S/C19H24N2O3/c1-2-24-17-12-16(22)19(17)6-9-21(10-7-19)18(23)14-4-3-13-5-8-20-15(13)11-14/h3-5,8,11,16-17,20,22H,2,6-7,9-10,12H2,1H3/t16-,17+/m1/s1
InChIKeyTXCQAKVJYSLUHW-SJORKVTESA-N
MW328.41 g/mol
LogP2.56
Rot. Bonds3

About [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone

[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone (PubChem CID 97216081) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
PubChem CID97216081
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3cc[nH]c3c1)CC2
InChIInChI=1S/C19H24N2O3/c1-2-24-17-12-16(22)19(17)6-9-21(10-7-19)18(23)14-4-3-13-5-8-20-15(13)11-14/h3-5,8,11,16-17,20,22H,2,6-7,9-10,12H2,1H3/t16-,17+/m1/s1
InChIKeyTXCQAKVJYSLUHW-SJORKVTESA-N
XLogP2.56
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone with MolForge

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Related Compounds

(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
(3-chlorophenyl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 111456862
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 71929956
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
CID 97100846
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70756940
6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione
CID 72937772
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indazol-3-yl)methanone
CID 97216094
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-4-yl)methanone
CID 71929955
(3-chloro-2-methylphenyl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627681
(3-chloro-2-methylphenyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627683

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone (CID 97216081) is [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone is CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3cc[nH]c3c1)CC2.
What is the InChIKey of [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone?
The InChIKey is TXCQAKVJYSLUHW-SJORKVTESA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-24-17-12-16(22)19(17)6-9-21(10-7-19)18(23)14-4-3-13-5-8-20-15(13)11-14/h3-5,8,11,16-17,20,22H,2,6-7,9-10,12H2,1H3/t16-,17+/m1/s1.
What are the key properties of [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone?
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 97216081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).