N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide

C21H29N3O3 — CID 129369520

IUPACN-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)C1
InChIInChI=1S/C21H29N3O3/c1-14-6-4-8-19(15(14)2)24-13-18(10-20(24)26)21(27)23-9-5-7-17(12-23)11-22-16(3)25/h4,6,8,17-18H,5,7,9-13H2,1-3H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyWAGOQXQIAGPYJJ-QZTJIDSGSA-N
MW371.48 g/mol
LogP2.03
Rot. Bonds4

About N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide

N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide (PubChem CID 129369520) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide
PubChem CID129369520
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)C1
InChIInChI=1S/C21H29N3O3/c1-14-6-4-8-19(15(14)2)24-13-18(10-20(24)26)21(27)23-9-5-7-17(12-23)11-22-16(3)25/h4,6,8,17-18H,5,7,9-13H2,1-3H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyWAGOQXQIAGPYJJ-QZTJIDSGSA-N
XLogP2.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
1-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119136682
1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119395463
(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 51873328
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 46557552
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 119638157
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
(4R)-1-(2,3-dimethylphenyl)-4-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 37033772
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide (CID 129369520) is N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)C1.
What is the InChIKey of N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is WAGOQXQIAGPYJJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14-6-4-8-19(15(14)2)24-13-18(10-20(24)26)21(27)23-9-5-7-17(12-23)11-22-16(3)25/h4,6,8,17-18H,5,7,9-13H2,1-3H3,(H,22,25)/t17-,18-/m1/s1.
What are the key properties of N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide?
N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 129369520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).