1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone

C22H28N4O3 — CID 167860010

IUPAC1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone
SMILESCOc1ccc2cc(C(=O)N3CC4(CCCN(CC(=O)N5CCC5)C4)C3)[nH]c2c1
InChIInChI=1S/C22H28N4O3/c1-29-17-5-4-16-10-19(23-18(16)11-17)21(28)26-14-22(15-26)6-2-7-24(13-22)12-20(27)25-8-3-9-25/h4-5,10-11,23H,2-3,6-9,12-15H2,1H3
InChIKeyKOOGUKAEXRRVAE-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.95
Rot. Bonds4

About 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone

1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone (PubChem CID 167860010) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone
PubChem CID167860010
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone
SMILESCOc1ccc2cc(C(=O)N3CC4(CCCN(CC(=O)N5CCC5)C4)C3)[nH]c2c1
InChIInChI=1S/C22H28N4O3/c1-29-17-5-4-16-10-19(23-18(16)11-17)21(28)26-14-22(15-26)6-2-7-24(13-22)12-20(27)25-8-3-9-25/h4-5,10-11,23H,2-3,6-9,12-15H2,1H3
InChIKeyKOOGUKAEXRRVAE-UHFFFAOYSA-N
XLogP1.95
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55559402
2-[(3R)-1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786376
N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide
CID 46445784
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
(2R)-4-(6-methoxy-1H-indole-2-carbonyl)morpholine-2-carboxamide
CID 94825635
(6-methoxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59740550
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92503758
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122257934
(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone
CID 131909207
1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38494769

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone (CID 167860010) is 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone is COc1ccc2cc(C(=O)N3CC4(CCCN(CC(=O)N5CCC5)C4)C3)[nH]c2c1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone?
The InChIKey is KOOGUKAEXRRVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-29-17-5-4-16-10-19(23-18(16)11-17)21(28)26-14-22(15-26)6-2-7-24(13-22)12-20(27)25-8-3-9-25/h4-5,10-11,23H,2-3,6-9,12-15H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone?
1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone has a molecular weight of 396.49 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[2-(6-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[3.5]nonan-8-yl]ethanone is sourced from PubChem (CID 167860010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).