(4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C22H21N3O2 — CID 97452861

IUPAC(4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1
InChIInChI=1S/C22H21N3O2/c26-20(17-6-7-19-16(12-17)8-10-23-19)25-11-9-22(14-25)18(13-24-21(22)27)15-4-2-1-3-5-15/h1-8,10,12,18,23H,9,11,13-14H2,(H,24,27)/t18-,22+/m1/s1
InChIKeyPWQZLPMLCKMPCV-GCJKJVERSA-N
MW359.43 g/mol
LogP2.91
Rot. Bonds2

About (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97452861) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97452861
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1
InChIInChI=1S/C22H21N3O2/c26-20(17-6-7-19-16(12-17)8-10-23-19)25-11-9-22(14-25)18(13-24-21(22)27)15-4-2-1-3-5-15/h1-8,10,12,18,23H,9,11,13-14H2,(H,24,27)/t18-,22+/m1/s1
InChIKeyPWQZLPMLCKMPCV-GCJKJVERSA-N
XLogP2.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11682270
(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 141350023
(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452785
4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131657294
8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662428
1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 91767064
(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
CID 146098508
(3R,4S)-3-benzyl-4-hydroxy-1-(1H-indole-5-carbonyl)piperidine-3-carboxylic acid
CID 164699959
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70752590
[7-(2-hydroxyethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(1H-indol-5-yl)methanone
CID 167945951
benzyl (4R)-1-oxo-4-phenyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 124560426

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 97452861) is (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1ccc2[nH]ccc2c1)N1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1.
What is the InChIKey of (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is PWQZLPMLCKMPCV-GCJKJVERSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-20(17-6-7-19-16(12-17)8-10-23-19)25-11-9-22(14-25)18(13-24-21(22)27)15-4-2-1-3-5-15/h1-8,10,12,18,23H,9,11,13-14H2,(H,24,27)/t18-,22+/m1/s1.
What are the key properties of (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 359.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97452861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).