[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone

C24H24N2O3 — CID 166623335

IUPAC[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(Oc2ccc(C(=O)N3CCC(Cc4cccnc4)C3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-28-21-8-10-23(11-9-21)29-22-6-4-20(5-7-22)24(27)26-14-12-19(17-26)15-18-3-2-13-25-16-18/h2-11,13,16,19H,12,14-15,17H2,1H3
InChIKeyJBSPCKNQFFANCE-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.59
Rot. Bonds6

About [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone

[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 166623335) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID166623335
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(Oc2ccc(C(=O)N3CCC(Cc4cccnc4)C3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-28-21-8-10-23(11-9-21)29-22-6-4-20(5-7-22)24(27)26-14-12-19(17-26)15-18-3-2-13-25-16-18/h2-11,13,16,19H,12,14-15,17H2,1H3
InChIKeyJBSPCKNQFFANCE-UHFFFAOYSA-N
XLogP4.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 125024467
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-[4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone
CID 55691441
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519929
[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618457
[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652422
[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124800344
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(pyridin-3-ylmethylsulfanyl)ethanone
CID 55670291
[4-(2-aminoethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154909016
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 48501123
4-[[1-(3-pyridin-3-ylpropanoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70736736

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone (CID 166623335) is [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone is COc1ccc(Oc2ccc(C(=O)N3CCC(Cc4cccnc4)C3)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JBSPCKNQFFANCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-28-21-8-10-23(11-9-21)29-22-6-4-20(5-7-22)24(27)26-14-12-19(17-26)15-18-3-2-13-25-16-18/h2-11,13,16,19H,12,14-15,17H2,1H3.
What are the key properties of [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166623335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).