[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

C24H31N3O3 — CID 24791385

IUPAC[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1
InChIInChI=1S/C24H31N3O3/c1-29-18-19-9-15-27(16-19)24(28)20-5-7-22(8-6-20)30-23-10-13-26(14-11-23)17-21-4-2-3-12-25-21/h2-8,12,19,23H,9-11,13-18H2,1H3
InChIKeyWSOSDGCAFGDTLU-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.23
Rot. Bonds7

About [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (PubChem CID 24791385) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
PubChem CID24791385
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1
InChIInChI=1S/C24H31N3O3/c1-29-18-19-9-15-27(16-19)24(28)20-5-7-22(8-6-20)30-23-10-13-26(14-11-23)17-21-4-2-3-12-25-21/h2-8,12,19,23H,9-11,13-18H2,1H3
InChIKeyWSOSDGCAFGDTLU-UHFFFAOYSA-N
XLogP3.23
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone with MolForge

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone;dihydrochloride
CID 154900317
[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42522784
[(3S)-3-cyclohexylpyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42522345
[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42240600
[3-(methoxymethyl)piperidin-1-yl]-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 45244683
N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45206753
N-methyl-N-(oxan-4-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25279804
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42521569
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45231108
2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 25280317
N-[(2S)-3-ethoxy-2-hydroxypropyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 51903313

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (CID 24791385) is [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is COCC1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1.
What is the InChIKey of [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is WSOSDGCAFGDTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-29-18-19-9-15-27(16-19)24(28)20-5-7-22(8-6-20)30-23-10-13-26(14-11-23)17-21-4-2-3-12-25-21/h2-8,12,19,23H,9-11,13-18H2,1H3.
What are the key properties of [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 409.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 24791385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).