(6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H27N3O3 — CID 96574143

IUPAC(6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)CN1CCCO
InChIInChI=1S/C21H27N3O3/c25-12-2-11-23-14-21(8-5-19(23)26)7-1-10-24(15-21)20(27)17-4-3-16-6-9-22-18(16)13-17/h3-4,6,9,13,22,25H,1-2,5,7-8,10-12,14-15H2/t21-/m0/s1
InChIKeyXDXACYGQUXHGTF-NRFANRHFSA-N
MW369.47 g/mol
LogP2.40
Rot. Bonds4

About (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96574143) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96574143
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)CN1CCCO
InChIInChI=1S/C21H27N3O3/c25-12-2-11-23-14-21(8-5-19(23)26)7-1-10-24(15-21)20(27)17-4-3-16-6-9-22-18(16)13-17/h3-4,6,9,13,22,25H,1-2,5,7-8,10-12,14-15H2/t21-/m0/s1
InChIKeyXDXACYGQUXHGTF-NRFANRHFSA-N
XLogP2.40
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96579498
8-(3-hydroxybenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72849066
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
2-ethyl-8-(3-phenylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 118792475
2-(2-methoxyethyl)-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70706736
8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744129
8-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72913831
8-[4-(hydroxymethyl)benzoyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70720356
(6S)-2-(3-hydroxypropyl)-8-(2-indazol-1-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96571224
[7-(2-hydroxyethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(1H-indol-5-yl)methanone
CID 167945951
(6R)-8-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96574038
8-(4-fluorobenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72847294

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96574143) is (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)CN1CCCO.
What is the InChIKey of (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is XDXACYGQUXHGTF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-12-2-11-23-14-21(8-5-19(23)26)7-1-10-24(15-21)20(27)17-4-3-16-6-9-22-18(16)13-17/h3-4,6,9,13,22,25H,1-2,5,7-8,10-12,14-15H2/t21-/m0/s1.
What are the key properties of (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 369.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(3-hydroxypropyl)-8-(1H-indole-6-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96574143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).