2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide

C26H32N2O5 — CID 67540503

IUPAC2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide
SMILESCOc1ccc([C@H]2CNC(=O)[C@@H](Cc3ccccc3OCC(N)=O)C2)cc1OC1CCCC1
InChIInChI=1S/C26H32N2O5/c1-31-23-11-10-17(14-24(23)33-21-7-3-4-8-21)20-13-19(26(30)28-15-20)12-18-6-2-5-9-22(18)32-16-25(27)29/h2,5-6,9-11,14,19-21H,3-4,7-8,12-13,15-16H2,1H3,(H2,27,29)(H,28,30)/t19-,20+/m0/s1
InChIKeyLPBQIEFRXFMLGR-VQTJNVASSA-N
MW452.55 g/mol
LogP3.34
Rot. Bonds9

About 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide

2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide (PubChem CID 67540503) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide
PubChem CID67540503
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide
SMILESCOc1ccc([C@H]2CNC(=O)[C@@H](Cc3ccccc3OCC(N)=O)C2)cc1OC1CCCC1
InChIInChI=1S/C26H32N2O5/c1-31-23-11-10-17(14-24(23)33-21-7-3-4-8-21)20-13-19(26(30)28-15-20)12-18-6-2-5-9-22(18)32-16-25(27)29/h2,5-6,9-11,14,19-21H,3-4,7-8,12-13,15-16H2,1H3,(H2,27,29)(H,28,30)/t19-,20+/m0/s1
InChIKeyLPBQIEFRXFMLGR-VQTJNVASSA-N
XLogP3.34
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide with MolForge

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Related Compounds

(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-phenoxyphenyl)methyl]piperidin-2-one
CID 67540900
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3,4-difluorophenyl)methyl]piperidin-2-one
CID 67540464
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
CID 67536530
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one
CID 67538278
3-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 69049167
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69046206
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-hexoxyphenyl)methyl]piperidin-2-one
CID 67540998
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one
CID 77309850
(3S,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-heptoxyphenyl)methyl]piperidin-2-one
CID 67538407
(3S,5S)-3-[(4-tert-butylanilino)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67536125
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one
CID 67540095
(3R,5S)-3-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one
CID 67538025

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide (CID 67540503) is 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide is COc1ccc([C@H]2CNC(=O)[C@@H](Cc3ccccc3OCC(N)=O)C2)cc1OC1CCCC1.
What is the InChIKey of 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide?
The InChIKey is LPBQIEFRXFMLGR-VQTJNVASSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-31-23-11-10-17(14-24(23)33-21-7-3-4-8-21)20-13-19(26(30)28-15-20)12-18-6-2-5-9-22(18)32-16-25(27)29/h2,5-6,9-11,14,19-21H,3-4,7-8,12-13,15-16H2,1H3,(H2,27,29)(H,28,30)/t19-,20+/m0/s1.
What are the key properties of 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide?
2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide has a molecular weight of 452.55 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopiperidin-3-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 67540503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).