1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one

C20H29N3O2 — CID 95042282

IUPAC1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one
SMILESCc1c(NCC(=O)N2C[C@H](C)C[C@H](C)C2)cccc1N1CCCC1=O
InChIInChI=1S/C20H29N3O2/c1-14-10-15(2)13-22(12-14)20(25)11-21-17-6-4-7-18(16(17)3)23-9-5-8-19(23)24/h4,6-7,14-15,21H,5,8-13H2,1-3H3/t14-,15+
InChIKeyZSPCXDXOIUBNOR-GASCZTMLSA-N
MW343.47 g/mol
LogP3.04
Rot. Bonds4

About 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one

1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one (PubChem CID 95042282) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one
PubChem CID95042282
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one
SMILESCc1c(NCC(=O)N2C[C@H](C)C[C@H](C)C2)cccc1N1CCCC1=O
InChIInChI=1S/C20H29N3O2/c1-14-10-15(2)13-22(12-14)20(25)11-21-17-6-4-7-18(16(17)3)23-9-5-8-19(23)24/h4,6-7,14-15,21H,5,8-13H2,1-3H3/t14-,15+
InChIKeyZSPCXDXOIUBNOR-GASCZTMLSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one
CID 75405377
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113
(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide
CID 95200625
2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid
CID 154794967
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17489416
N-(2-ethyl-6-methylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542779
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726008
2-[cyclopropyl-(4-methylcyclohexyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55827499
N-(1-methoxypropan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 51260899
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one (CID 95042282) is 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one is Cc1c(NCC(=O)N2C[C@H](C)C[C@H](C)C2)cccc1N1CCCC1=O.
What is the InChIKey of 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one?
The InChIKey is ZSPCXDXOIUBNOR-GASCZTMLSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-10-15(2)13-22(12-14)20(25)11-21-17-6-4-7-18(16(17)3)23-9-5-8-19(23)24/h4,6-7,14-15,21H,5,8-13H2,1-3H3/t14-,15+.
What are the key properties of 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one?
1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one has a molecular weight of 343.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 95042282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).