2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H29N3O3 — CID 97278874

IUPAC2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)CC2
InChIInChI=1S/C22H29N3O3/c1-23-16-22(8-7-19(23)26)9-11-24(12-10-22)21(28)15-25-14-18(13-20(25)27)17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3/t18-/m1/s1
InChIKeyGXKKCGXGCJSUJS-GOSISDBHSA-N
MW383.49 g/mol
LogP1.86
Rot. Bonds3

About 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97278874) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97278874
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)CC2
InChIInChI=1S/C22H29N3O3/c1-23-16-22(8-7-19(23)26)9-11-24(12-10-22)21(28)15-25-14-18(13-20(25)27)17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3/t18-/m1/s1
InChIKeyGXKKCGXGCJSUJS-GOSISDBHSA-N
XLogP1.86
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-8-[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 124851812
(4R)-1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 124854698
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 91837974
(4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97281022
1-[2-oxo-2-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-4-phenylpyrrolidin-2-one
CID 45220276
4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 23039534
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
2-methyl-9-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72939452
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97281698
(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97271353
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97278874) is 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCC1=O)CCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)CC2.
What is the InChIKey of 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GXKKCGXGCJSUJS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-23-16-22(8-7-19(23)26)9-11-24(12-10-22)21(28)15-25-14-18(13-20(25)27)17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3/t18-/m1/s1.
What are the key properties of 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 383.49 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97278874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).