3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione

C18H31N3O4 — CID 166875895

IUPAC3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione
SMILESC=C(CNC1CCC(=O)NC1=O)C(C)(O[C@H]1CCC[C@@H]1N)C(C)OC
InChIInChI=1S/C18H31N3O4/c1-11(10-20-14-8-9-16(22)21-17(14)23)18(3,12(2)24-4)25-15-7-5-6-13(15)19/h12-15,20H,1,5-10,19H2,2-4H3,(H,21,22,23)/t12?,13-,14?,15-,18?/m0/s1
InChIKeyDULQDTRCZAHMAO-SUFGCDPTSA-N
MW353.46 g/mol
LogP0.63
Rot. Bonds8

About 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione

3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione (PubChem CID 166875895) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione
PubChem CID166875895
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione
SMILESC=C(CNC1CCC(=O)NC1=O)C(C)(O[C@H]1CCC[C@@H]1N)C(C)OC
InChIInChI=1S/C18H31N3O4/c1-11(10-20-14-8-9-16(22)21-17(14)23)18(3,12(2)24-4)25-15-7-5-6-13(15)19/h12-15,20H,1,5-10,19H2,2-4H3,(H,21,22,23)/t12?,13-,14?,15-,18?/m0/s1
InChIKeyDULQDTRCZAHMAO-SUFGCDPTSA-N
XLogP0.63
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione 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

3-[[3-methyl-2-methylidene-3-[(1S,2S)-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]oxybutyl]amino]piperidine-2,6-dione
CID 146300504
3-(3-methylbut-3-enylamino)piperidine-2,6-dione
CID 114472384
3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione
CID 166865172
3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione
CID 166865158
tert-butyl N-[2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-methylbutyl]carbamate
CID 107442391
3-(cyclooctylmethylamino)piperidine-2,6-dione
CID 114207756
3-(but-3-en-2-ylamino)piperidine-2,6-dione
CID 107907204
N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
CID 114616626
1-(2-aminocyclopentyl)oxy-2,3-dimethylbutan-2-ol
CID 106940782
2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79256698
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione (CID 166875895) is 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione is C=C(CNC1CCC(=O)NC1=O)C(C)(O[C@H]1CCC[C@@H]1N)C(C)OC.
What is the InChIKey of 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione?
The InChIKey is DULQDTRCZAHMAO-SUFGCDPTSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-11(10-20-14-8-9-16(22)21-17(14)23)18(3,12(2)24-4)25-15-7-5-6-13(15)19/h12-15,20H,1,5-10,19H2,2-4H3,(H,21,22,23)/t12?,13-,14?,15-,18?/m0/s1.
What are the key properties of 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione?
3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione has a molecular weight of 353.46 g/mol, XLogP of 0.63, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1S,2S)-2-aminocyclopentyl]oxy-4-methoxy-3-methyl-2-methylidenepentyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166875895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).