4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione

C26H29NO6 — CID 134878119

IUPAC4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione
SMILESCC1(C)O[C@H]2O[C@H](C3CC(=O)N(Cc4ccccc4)C(=O)C3)[C@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C26H29NO6/c1-26(2)32-24-23(30-16-18-11-7-4-8-12-18)22(31-25(24)33-26)19-13-20(28)27(21(29)14-19)15-17-9-5-3-6-10-17/h3-12,19,22-25H,13-16H2,1-2H3/t22-,23+,24-,25-/m1/s1
InChIKeyZBMHLGXYWLUQMR-ZFFYZDHPSA-N
MW451.52 g/mol
LogP3.41
Rot. Bonds6

About 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione

4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione (PubChem CID 134878119) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione
PubChem CID134878119
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC Name4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione
SMILESCC1(C)O[C@H]2O[C@H](C3CC(=O)N(Cc4ccccc4)C(=O)C3)[C@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C26H29NO6/c1-26(2)32-24-23(30-16-18-11-7-4-8-12-18)22(31-25(24)33-26)19-13-20(28)27(21(29)14-19)15-17-9-5-3-6-10-17/h3-12,19,22-25H,13-16H2,1-2H3/t22-,23+,24-,25-/m1/s1
InChIKeyZBMHLGXYWLUQMR-ZFFYZDHPSA-N
XLogP3.41
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-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

6-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-dibenzyl-1,3-diazinane-2,4-dione
CID 76308349
(6R)-6-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-dibenzyl-1,3-diazinane-2,4-dione
CID 76308604
(6S)-6-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-dibenzyl-1,3-diazinane-2,4-dione
CID 76312300
6-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-benzyl-1,3-diazinane-2,4-dione
CID 76330385
N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 10139550
N-[[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 59922389
benzyl N-benzyl-N-[(2S)-2-[[(4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]pent-4-enyl]carbamate
CID 89534658
benzyl N-benzyl-N-[(2R)-2-[[(4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-oxobutyl]carbamate
CID 89534659
benzyl N-[(2S)-2-[[(3aS,4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]pent-4-enyl]-N-benzylcarbamate
CID 117637072
benzyl N-[(2R)-1-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-oxobutan-2-yl]-N-benzylcarbamate
CID 10743442
(5S,6S)-6-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzyl-5-phenylmethoxypiperidin-2-one
CID 24795632
(6S)-6-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidin-2-one
CID 24795770

Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione?
The IUPAC name of 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione (CID 134878119) is 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione.
What is the SMILES notation for 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione?
The canonical SMILES for 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione is CC1(C)O[C@H]2O[C@H](C3CC(=O)N(Cc4ccccc4)C(=O)C3)[C@H](OCc3ccccc3)[C@H]2O1.
What is the InChIKey of 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione?
The InChIKey is ZBMHLGXYWLUQMR-ZFFYZDHPSA-N. The full InChI is InChI=1S/C26H29NO6/c1-26(2)32-24-23(30-16-18-11-7-4-8-12-18)22(31-25(24)33-26)19-13-20(28)27(21(29)14-19)15-17-9-5-3-6-10-17/h3-12,19,22-25H,13-16H2,1-2H3/t22-,23+,24-,25-/m1/s1.
What are the key properties of 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione?
4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione has a molecular weight of 451.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-benzylpiperidine-2,6-dione is sourced from PubChem (CID 134878119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).