(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one

C23H28N2O3 — CID 67536530

IUPAC(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)[C@@H](Cc3cccnc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-8-17(13-22(21)28-20-6-2-3-7-20)19-12-18(23(26)25-15-19)11-16-5-4-10-24-14-16/h4-5,8-10,13-14,18-20H,2-3,6-7,11-12,15H2,1H3,(H,25,26)/t18-,19+/m0/s1
InChIKeyZQMCYRDMYZYFPT-RBUKOAKNSA-N
MW380.49 g/mol
LogP3.87
Rot. Bonds6

About (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one

(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one (PubChem CID 67536530) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
PubChem CID67536530
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)[C@@H](Cc3cccnc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-8-17(13-22(21)28-20-6-2-3-7-20)19-12-18(23(26)25-15-19)11-16-5-4-10-24-14-16/h4-5,8-10,13-14,18-20H,2-3,6-7,11-12,15H2,1H3,(H,25,26)/t18-,19+/m0/s1
InChIKeyZQMCYRDMYZYFPT-RBUKOAKNSA-N
XLogP3.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)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

Related Compounds

(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-ethoxyphenyl)methyl]piperidin-2-one
CID 67538278
(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-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-[(3,4-difluorophenyl)methyl]piperidin-2-one
CID 67540464
5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[3-(propylamino)phenyl]methyl]piperidin-2-one
CID 77309850
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-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethylidene)piperidin-2-one
CID 67536226
(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-(pyridin-3-ylmethyl)piperidin-2-one?
The IUPAC name of (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one (CID 67536530) is (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one.
What is the SMILES notation for (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one?
The canonical SMILES for (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one is COc1ccc([C@H]2CNC(=O)[C@@H](Cc3cccnc3)C2)cc1OC1CCCC1.
What is the InChIKey of (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one?
The InChIKey is ZQMCYRDMYZYFPT-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-9-8-17(13-22(21)28-20-6-2-3-7-20)19-12-18(23(26)25-15-19)11-16-5-4-10-24-14-16/h4-5,8-10,13-14,18-20H,2-3,6-7,11-12,15H2,1H3,(H,25,26)/t18-,19+/m0/s1.
What are the key properties of (3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one?
(3R,5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-3-ylmethyl)piperidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.87, 6 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-(pyridin-3-ylmethyl)piperidin-2-one is sourced from PubChem (CID 67536530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).