2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid

C20H24N2O4 — CID 77080998

IUPAC2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CN1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H24N2O4/c23-20(24)15-26-19-6-2-1-5-17(19)13-22-10-7-18(8-11-22)25-14-16-4-3-9-21-12-16/h1-6,9,12,18H,7-8,10-11,13-15H2,(H,23,24)
InChIKeyUTAXNRADCOZCKH-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.73
Rot. Bonds8

About 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid

2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 77080998) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID77080998
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CN1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H24N2O4/c23-20(24)15-26-19-6-2-1-5-17(19)13-22-10-7-18(8-11-22)25-14-16-4-3-9-21-12-16/h1-6,9,12,18H,7-8,10-11,13-15H2,(H,23,24)
InChIKeyUTAXNRADCOZCKH-UHFFFAOYSA-N
XLogP2.73
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
CID 57411895
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-1,4-diazepan-5-one
CID 75439270
2-[2-[[(4aS,9aS)-3-oxo-4a,5,6,8,9,9a-hexahydro-4H-[1,4]oxazino[2,3-d]azepin-7-yl]methyl]phenoxy]acetic acid
CID 110127105
3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 56886815
2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 124941248
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904911
3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 56905474
oxalic acid;3-[[4-[(2-phenylmethoxyphenyl)methoxy]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 22678751
5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline
CID 56901960
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid (CID 77080998) is 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1CN1CCC(OCc2cccnc2)CC1.
What is the InChIKey of 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is UTAXNRADCOZCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-20(24)15-26-19-6-2-1-5-17(19)13-22-10-7-18(8-11-22)25-14-16-4-3-9-21-12-16/h1-6,9,12,18H,7-8,10-11,13-15H2,(H,23,24).
What are the key properties of 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 356.42 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 77080998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).