(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one

C26H33NO4 — CID 67538278

IUPAC(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one
SMILESCCOc1cccc(C[C@H]2C[C@@H](c3ccc(OC)c(OC4CCCC4)c3)CNC2=O)c1
InChIInChI=1S/C26H33NO4/c1-3-30-23-10-6-7-18(14-23)13-20-15-21(17-27-26(20)28)19-11-12-24(29-2)25(16-19)31-22-8-4-5-9-22/h6-7,10-12,14,16,20-22H,3-5,8-9,13,15,17H2,1-2H3,(H,27,28)/t20-,21+/m0/s1
InChIKeyMUSZOIZXWNXIAS-LEWJYISDSA-N
MW423.55 g/mol
LogP4.88
Rot. Bonds8

About (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one

(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one (PubChem CID 67538278) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one
PubChem CID67538278
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one
SMILESCCOc1cccc(C[C@H]2C[C@@H](c3ccc(OC)c(OC4CCCC4)c3)CNC2=O)c1
InChIInChI=1S/C26H33NO4/c1-3-30-23-10-6-7-18(14-23)13-20-15-21(17-27-26(20)28)19-11-12-24(29-2)25(16-19)31-22-8-4-5-9-22/h6-7,10-12,14,16,20-22H,3-5,8-9,13,15,17H2,1-2H3,(H,27,28)/t20-,21+/m0/s1
InChIKeyMUSZOIZXWNXIAS-LEWJYISDSA-N
XLogP4.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one with MolForge

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Related Compounds

(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-hexoxyphenyl)methyl]piperidin-2-one
CID 67540998
(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-heptoxyphenyl)methyl]piperidin-2-one
CID 67538407
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
CID 67536530
(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one
CID 67540900
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one
CID 77309850
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-difluorophenyl)methyl]piperidin-2-one
CID 67540464
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69046206
2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide
CID 67540503
5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 69048752
(3R,5S)-3-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67538025
3-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 69049167
(3S,5S)-3-[(4-tert-butylanilino)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67536125

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one?
The IUPAC name of (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one (CID 67538278) is (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one.
What is the SMILES notation for (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one?
The canonical SMILES for (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one is CCOc1cccc(C[C@H]2C[C@@H](c3ccc(OC)c(OC4CCCC4)c3)CNC2=O)c1.
What is the InChIKey of (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one?
The InChIKey is MUSZOIZXWNXIAS-LEWJYISDSA-N. The full InChI is InChI=1S/C26H33NO4/c1-3-30-23-10-6-7-18(14-23)13-20-15-21(17-27-26(20)28)19-11-12-24(29-2)25(16-19)31-22-8-4-5-9-22/h6-7,10-12,14,16,20-22H,3-5,8-9,13,15,17H2,1-2H3,(H,27,28)/t20-,21+/m0/s1.
What are the key properties of (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one?
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one has a molecular weight of 423.55 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 67538278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).