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

C24H23NO4 — CID 22399209

IUPAC2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H23NO4/c26-22(27)16-19-7-3-4-8-21(19)24(29)11-13-25(14-12-24)23(28)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15,29H,11-14,16H2,(H,26,27)
InChIKeySWYGWBJESDHDPM-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.59
Rot. Bonds4

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

2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid (PubChem CID 22399209) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
PubChem CID22399209
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H23NO4/c26-22(27)16-19-7-3-4-8-21(19)24(29)11-13-25(14-12-24)23(28)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15,29H,11-14,16H2,(H,26,27)
InChIKeySWYGWBJESDHDPM-UHFFFAOYSA-N
XLogP3.59
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
CID 22399174
2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399464
2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]-4-phenylbutanoic acid
CID 54172123
2-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399310
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 174762267
8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10156925
4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid
CID 22399182
naphthalen-2-yl-[9-[(2-phenylmethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 69428050
[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
naphthalen-2-yl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 90510632
[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 155977046

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid?
The IUPAC name of 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid (CID 22399209) is 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid is O=C(O)Cc1ccccc1C1(O)CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid?
The InChIKey is SWYGWBJESDHDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-22(27)16-19-7-3-4-8-21(19)24(29)11-13-25(14-12-24)23(28)20-10-9-17-5-1-2-6-18(17)15-20/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]phenyl]acetic acid?
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid has a molecular weight of 389.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid is sourced from PubChem (CID 22399209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).