(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one

C22H27N3O5 — CID 95098414

IUPAC(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
SMILESCC(=O)N1CCc2cc(N3C[C@@H](C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21
InChIInChI=1S/C22H27N3O5/c1-15(26)24-7-4-16-12-18(2-3-19(16)24)25-14-17(13-20(25)27)21(28)23-8-5-22(6-9-23)29-10-11-30-22/h2-3,12,17H,4-11,13-14H2,1H3/t17-/m0/s1
InChIKeyFEFGTOQVVSLRRU-KRWDZBQOSA-N
MW413.47 g/mol
LogP1.31
Rot. Bonds2

About (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one

(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one (PubChem CID 95098414) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
PubChem CID95098414
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
SMILESCC(=O)N1CCc2cc(N3C[C@@H](C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21
InChIInChI=1S/C22H27N3O5/c1-15(26)24-7-4-16-12-18(2-3-19(16)24)25-14-17(13-20(25)27)21(28)23-8-5-22(6-9-23)29-10-11-30-22/h2-3,12,17H,4-11,13-14H2,1H3/t17-/m0/s1
InChIKeyFEFGTOQVVSLRRU-KRWDZBQOSA-N
XLogP1.31
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 46589862
(4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 95098688
1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 113190973
1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 113188506
(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95098786
(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098497
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 53155620
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155643
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155707
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098431

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one (CID 95098414) is (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one is CC(=O)N1CCc2cc(N3C[C@@H](C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21.
What is the InChIKey of (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The InChIKey is FEFGTOQVVSLRRU-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-15(26)24-7-4-16-12-18(2-3-19(16)24)25-14-17(13-20(25)27)21(28)23-8-5-22(6-9-23)29-10-11-30-22/h2-3,12,17H,4-11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one has a molecular weight of 413.47 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 95098414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).