2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid

C24H23NO5 — CID 22399174

IUPAC2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H23NO5/c26-22(27)16-30-21-8-4-3-7-20(21)24(29)11-13-25(14-12-24)23(28)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15,29H,11-14,16H2,(H,26,27)
InChIKeyPEDYPCPNOPSJAZ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.43
Rot. Bonds5

About 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid

2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid (PubChem CID 22399174) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
PubChem CID22399174
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H23NO5/c26-22(27)16-30-21-8-4-3-7-20(21)24(29)11-13-25(14-12-24)23(28)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15,29H,11-14,16H2,(H,26,27)
InChIKeyPEDYPCPNOPSJAZ-UHFFFAOYSA-N
XLogP3.43
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
CID 22399209
naphthalen-2-yl-[9-[(2-phenylmethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 69428050
2-[2-[4-hydroxy-1-(4-oxo-3,3-diphenyl-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]phenoxy]acetic acid
CID 10187251
2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid
CID 54172123
2-[4-[1-(naphthalene-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
CID 22399409
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 174762267
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone
CID 144699624
4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050449
8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156925
2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399464
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 119035596

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid (CID 22399174) is 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid is O=C(O)COc1ccccc1C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid?
The InChIKey is PEDYPCPNOPSJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c26-22(27)16-30-21-8-4-3-7-20(21)24(29)11-13-25(14-12-24)23(28)19-10-9-17-5-1-2-6-18(17)15-19/h1-10,15,29H,11-14,16H2,(H,26,27).
What are the key properties of 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid?
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid has a molecular weight of 405.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 22399174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).