(6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one

C23H34N2O5 — CID 46205097

IUPAC(6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one
SMILESCOC[C@@H]1CCCN1N1C(=O)CCC[C@@H]1CC1(c2ccc(OC)cc2)OCCCO1
InChIInChI=1S/C23H34N2O5/c1-27-17-20-7-4-13-24(20)25-19(6-3-8-22(25)26)16-23(29-14-5-15-30-23)18-9-11-21(28-2)12-10-18/h9-12,19-20H,3-8,13-17H2,1-2H3/t19-,20+/m1/s1
InChIKeyRUSHFUDDWPDVGM-UXHICEINSA-N
MW418.53 g/mol
LogP3.08
Rot. Bonds7

About (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one

(6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one (PubChem CID 46205097) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one
PubChem CID46205097
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Name(6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one
SMILESCOC[C@@H]1CCCN1N1C(=O)CCC[C@@H]1CC1(c2ccc(OC)cc2)OCCCO1
InChIInChI=1S/C23H34N2O5/c1-27-17-20-7-4-13-24(20)25-19(6-3-8-22(25)26)16-23(29-14-5-15-30-23)18-9-11-21(28-2)12-10-18/h9-12,19-20H,3-8,13-17H2,1-2H3/t19-,20+/m1/s1
InChIKeyRUSHFUDDWPDVGM-UXHICEINSA-N
XLogP3.08
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one?
The IUPAC name of (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one (CID 46205097) is (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one.
What is the SMILES notation for (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one?
The canonical SMILES for (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one is COC[C@@H]1CCCN1N1C(=O)CCC[C@@H]1CC1(c2ccc(OC)cc2)OCCCO1.
What is the InChIKey of (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one?
The InChIKey is RUSHFUDDWPDVGM-UXHICEINSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-27-17-20-7-4-13-24(20)25-19(6-3-8-22(25)26)16-23(29-14-5-15-30-23)18-9-11-21(28-2)12-10-18/h9-12,19-20H,3-8,13-17H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one?
(6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one has a molecular weight of 418.53 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-[[2-(4-methoxyphenyl)-1,3-dioxan-2-yl]methyl]piperidin-2-one is sourced from PubChem (CID 46205097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).