(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

C19H34N2O3 — CID 97387215

IUPAC(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCN1CCC(COC[C@H]2CC[C@H]3[C@H](CCN3[C@H]3CCOC3)O2)CC1
InChIInChI=1S/C19H34N2O3/c1-20-8-4-15(5-9-20)12-23-14-17-2-3-18-19(24-17)6-10-21(18)16-7-11-22-13-16/h15-19H,2-14H2,1H3/t16-,17+,18-,19-/m0/s1
InChIKeyJBNLUMBLMXQMSH-RDGPPVDQSA-N
MW338.49 g/mol
LogP1.76
Rot. Bonds5

About (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (PubChem CID 97387215) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
PubChem CID97387215
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCN1CCC(COC[C@H]2CC[C@H]3[C@H](CCN3[C@H]3CCOC3)O2)CC1
InChIInChI=1S/C19H34N2O3/c1-20-8-4-15(5-9-20)12-23-14-17-2-3-18-19(24-17)6-10-21(18)16-7-11-22-13-16/h15-19H,2-14H2,1H3/t16-,17+,18-,19-/m0/s1
InChIKeyJBNLUMBLMXQMSH-RDGPPVDQSA-N
XLogP1.76
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

2-[[(3aS,5R,7aS)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97461203
(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461207
(3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460610
(3aR,5R,7aR)-5-(oxan-4-ylmethoxymethyl)-1-(oxan-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97379169
(3aS,5R,7aS)-1-methylsulfonyl-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387213
(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
CID 124547983
(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-methylsulfonyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 155826520
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
(3aR,5R,7aR)-1-[(5-methylfuran-2-yl)methyl]-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97404039
(5S)-1-[(5-methylfuran-2-yl)methyl]-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 134690478
(3aS,5S,7aS)-5-(cyclopropylmethoxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460588
furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone
CID 134690207

Frequently Asked Questions

What is the IUPAC name of (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The IUPAC name of (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (CID 97387215) is (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.
What is the SMILES notation for (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The canonical SMILES for (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is CN1CCC(COC[C@H]2CC[C@H]3[C@H](CCN3[C@H]3CCOC3)O2)CC1.
What is the InChIKey of (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The InChIKey is JBNLUMBLMXQMSH-RDGPPVDQSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-20-8-4-15(5-9-20)12-23-14-17-2-3-18-19(24-17)6-10-21(18)16-7-11-22-13-16/h15-19H,2-14H2,1H3/t16-,17+,18-,19-/m0/s1.
What are the key properties of (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole has a molecular weight of 338.49 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is sourced from PubChem (CID 97387215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).