[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C26H34N2O3 — CID 24791134

IUPAC[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C)c(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1C
InChIInChI=1S/C26H34N2O3/c1-19-17-25(30-3)20(2)16-22(19)18-27-14-10-24(11-15-27)31-23-8-6-21(7-9-23)26(29)28-12-4-5-13-28/h6-9,16-17,24H,4-5,10-15,18H2,1-3H3
InChIKeySXQJGQOVUKFBJX-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.59
Rot. Bonds6

About [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 24791134) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID24791134
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C)c(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1C
InChIInChI=1S/C26H34N2O3/c1-19-17-25(30-3)20(2)16-22(19)18-27-14-10-24(11-15-27)31-23-8-6-21(7-9-23)26(29)28-12-4-5-13-28/h6-9,16-17,24H,4-5,10-15,18H2,1-3H3
InChIKeySXQJGQOVUKFBJX-UHFFFAOYSA-N
XLogP4.59
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
[2-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 25461351
[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42242129
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-[1-(furan-3-ylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42382175
[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 24790458
1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine
CID 2846019
[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25446255
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 24791134) is [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is COc1cc(C)c(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1C.
What is the InChIKey of [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SXQJGQOVUKFBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19-17-25(30-3)20(2)16-22(19)18-27-14-10-24(11-15-27)31-23-8-6-21(7-9-23)26(29)28-12-4-5-13-28/h6-9,16-17,24H,4-5,10-15,18H2,1-3H3.
What are the key properties of [4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 422.57 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-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24791134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).