(4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one

C22H32N4O2 — CID 97281022

IUPAC(4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESCN1CCCN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)CC12CCNCC2
InChIInChI=1S/C22H32N4O2/c1-24-12-5-13-25(17-22(24)8-10-23-11-9-22)21(28)16-26-15-19(14-20(26)27)18-6-3-2-4-7-18/h2-4,6-7,19,23H,5,8-17H2,1H3/t19-/m1/s1
InChIKeyGPPPBUJNNHFMTQ-LJQANCHMSA-N
MW384.52 g/mol
LogP1.29
Rot. Bonds3

About (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one

(4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one (PubChem CID 97281022) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
PubChem CID97281022
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESCN1CCCN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)CC12CCNCC2
InChIInChI=1S/C22H32N4O2/c1-24-12-5-13-25(17-22(24)8-10-23-11-9-22)21(28)16-26-15-19(14-20(26)27)18-6-3-2-4-7-18/h2-4,6-7,19,23H,5,8-17H2,1H3/t19-/m1/s1
InChIKeyGPPPBUJNNHFMTQ-LJQANCHMSA-N
XLogP1.29
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-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

(4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one
CID 97270312
2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97278874
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
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
2-[(2-fluorophenyl)methyl-methylamino]-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
CID 91831609
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 23039534
(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97281698
(10S)-10-hydroxy-10-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
CID 155271150
N-[1-(hydroxymethyl)cyclopentyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 72841984

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one (CID 97281022) is (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one is CN1CCCN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)CC12CCNCC2.
What is the InChIKey of (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The InChIKey is GPPPBUJNNHFMTQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-24-12-5-13-25(17-22(24)8-10-23-11-9-22)21(28)16-26-15-19(14-20(26)27)18-6-3-2-4-7-18/h2-4,6-7,19,23H,5,8-17H2,1H3/t19-/m1/s1.
What are the key properties of (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one?
(4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one has a molecular weight of 384.52 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 97281022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).