2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid

C20H24N2O4 — CID 138386833

IUPAC2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CN1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C20H24N2O4/c23-19-6-5-16(12-21-19)11-15-7-9-22(10-8-15)13-17-3-1-2-4-18(17)26-14-20(24)25/h1-6,12,15H,7-11,13-14H2,(H,21,23)(H,24,25)
InChIKeyBLKISAQWQPKZOG-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.29
Rot. Bonds7

About 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid

2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 138386833) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID138386833
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CN1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C20H24N2O4/c23-19-6-5-16(12-21-19)11-15-7-9-22(10-8-15)13-17-3-1-2-4-18(17)26-14-20(24)25/h1-6,12,15H,7-11,13-14H2,(H,21,23)(H,24,25)
InChIKeyBLKISAQWQPKZOG-UHFFFAOYSA-N
XLogP2.29
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
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
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138382589
2-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77088349
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77080998
2-[2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77089620
2-[2-[[3-(pyridin-2-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 132770437
2-[2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenoxy]acetic acid
CID 56718402
2-[2-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 125017599
(4aR,8aS)-6-[[2-(carboxymethoxy)phenyl]methyl]-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylic acid
CID 133114981

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid (CID 138386833) is 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1CN1CCC(Cc2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is BLKISAQWQPKZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19-6-5-16(12-21-19)11-15-7-9-22(10-8-15)13-17-3-1-2-4-18(17)26-14-20(24)25/h1-6,12,15H,7-11,13-14H2,(H,21,23)(H,24,25).
What are the key properties of 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 356.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 138386833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).