(2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide

C20H29N3O3 — CID 11907775

IUPAC(2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCCOc1ccc(N2C[C@H](NC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-4-26-18-10-8-17(9-11-18)22-13-16(12-19(22)24)21-20(25)23-14(2)6-5-7-15(23)3/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,21,25)/t14-,15-,16+/m0/s1
InChIKeyXUUAOLPBZIZPSO-HRCADAONSA-N
MW359.47 g/mol
LogP3.16
Rot. Bonds4

About (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide

(2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 11907775) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide
PubChem CID11907775
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCCOc1ccc(N2C[C@H](NC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-4-26-18-10-8-17(9-11-18)22-13-16(12-19(22)24)21-20(25)23-14(2)6-5-7-15(23)3/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,21,25)/t14-,15-,16+/m0/s1
InChIKeyXUUAOLPBZIZPSO-HRCADAONSA-N
XLogP3.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 7255321
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852
3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
CID 16822238
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 43969976

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide (CID 11907775) is (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide is CCOc1ccc(N2C[C@H](NC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2=O)cc1.
What is the InChIKey of (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is XUUAOLPBZIZPSO-HRCADAONSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-26-18-10-8-17(9-11-18)22-13-16(12-19(22)24)21-20(25)23-14(2)6-5-7-15(23)3/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,21,25)/t14-,15-,16+/m0/s1.
What are the key properties of (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide?
(2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 11907775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).