[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone

C24H36N2O4 — CID 26407325

IUPAC[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C24H36N2O4/c1-28-19-9-15-26(16-10-19)24(27)22-17-21(29-2)7-8-23(22)30-20-11-13-25(14-12-20)18-5-3-4-6-18/h7-8,17-20H,3-6,9-16H2,1-2H3
InChIKeyDWPPNMRISWSPAF-UHFFFAOYSA-N
MW416.56 g/mol
LogP3.73
Rot. Bonds6

About [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone

[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 26407325) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID26407325
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C24H36N2O4/c1-28-19-9-15-26(16-10-19)24(27)22-17-21(29-2)7-8-23(22)30-20-11-13-25(14-12-20)18-5-3-4-6-18/h7-8,17-20H,3-6,9-16H2,1-2H3
InChIKeyDWPPNMRISWSPAF-UHFFFAOYSA-N
XLogP3.73
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42566083
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 72934525
2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide
CID 56700795
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
CID 42384375
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;dihydrochloride
CID 154899746
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 25456293
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 72873323
1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
CID 42096484
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide
CID 42384099
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methoxybenzamide
CID 42241969
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone (CID 26407325) is [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone is COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCC(OC)CC2)c1.
What is the InChIKey of [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is DWPPNMRISWSPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-28-19-9-15-26(16-10-19)24(27)22-17-21(29-2)7-8-23(22)30-20-11-13-25(14-12-20)18-5-3-4-6-18/h7-8,17-20H,3-6,9-16H2,1-2H3.
What are the key properties of [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone?
[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 416.56 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 26407325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).