1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one

C23H30N2O3 — CID 175922233

IUPAC1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C)c(N2CCC(COc3ccccn3)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-23(2,3)22(26)19-9-8-18(27-4)15-20(19)25-13-10-17(11-14-25)16-28-21-7-5-6-12-24-21/h5-9,12,15,17H,10-11,13-14,16H2,1-4H3
InChIKeyWQBFQOSQEXFRRE-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.61
Rot. Bonds6

About 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one

1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 175922233) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one
PubChem CID175922233
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C)c(N2CCC(COc3ccccn3)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-23(2,3)22(26)19-9-8-18(27-4)15-20(19)25-13-10-17(11-14-25)16-28-21-7-5-6-12-24-21/h5-9,12,15,17H,10-11,13-14,16H2,1-4H3
InChIKeyWQBFQOSQEXFRRE-UHFFFAOYSA-N
XLogP4.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

6-methoxy-1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-2,3-dihydroindole
CID 175932420
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
3-cyclopropyl-3-[2-[[1-[5-methoxy-2-[propan-2-yl(pyridin-2-yl)carbamoyl]phenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294793
3-cyclopropyl-3-[2-[[1-[2-(2,2-dimethylpropoxycarbonyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 176905054
3-cyclopropyl-3-[2-[[1-[5-methoxy-2-[[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]-pyridin-2-ylcarbamoyl]phenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294617
ethyl 3-[2-[[1-[2-[cyclobutylmethyl(pyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]-3-cyclopropylpropanoate
CID 121294366
2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
CID 111543946
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid
CID 167781295
(3S)-3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294265
3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294417
(3S)-3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 90479828
3-cyclopropyl-3-[3-[[1-[2-[ethyl(pyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
CID 121294298

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one (CID 175922233) is 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one is COc1ccc(C(=O)C(C)(C)C)c(N2CCC(COc3ccccn3)CC2)c1.
What is the InChIKey of 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is WQBFQOSQEXFRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-23(2,3)22(26)19-9-8-18(27-4)15-20(19)25-13-10-17(11-14-25)16-28-21-7-5-6-12-24-21/h5-9,12,15,17H,10-11,13-14,16H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one?
1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 382.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 175922233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).