2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid

C26H25ClN2O4 — CID 162658251

IUPAC2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CCCNC3)c2)c1
InChIInChI=1S/C26H25ClN2O4/c27-22-11-10-18(14-24(22)33-21-8-4-12-28-16-21)17-6-3-7-20(13-17)26(32)29-23-9-2-1-5-19(23)15-25(30)31/h1-3,5-7,9-11,13-14,21,28H,4,8,12,15-16H2,(H,29,32)(H,30,31)
InChIKeyKUFQHOICNXMBSD-UHFFFAOYSA-N
MW464.95 g/mol
LogP5.02
Rot. Bonds7

About 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid

2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid (PubChem CID 162658251) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid
PubChem CID162658251
Molecular FormulaC26H25ClN2O4
Molecular Weight464.95 g/mol
Exact Mass464.15
IUPAC Name2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CCCNC3)c2)c1
InChIInChI=1S/C26H25ClN2O4/c27-22-11-10-18(14-24(22)33-21-8-4-12-28-16-21)17-6-3-7-20(13-17)26(32)29-23-9-2-1-5-19(23)15-25(30)31/h1-3,5-7,9-11,13-14,21,28H,4,8,12,15-16H2,(H,29,32)(H,30,31)
InChIKeyKUFQHOICNXMBSD-UHFFFAOYSA-N
XLogP5.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.95
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[3-[4-chloro-2-fluoro-3-[(3R)-piperidin-3-yl]oxyphenyl]benzoyl]amino]phenyl]acetic acid
CID 162659507
3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
CID 56830793
2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzoyl]amino]phenyl]acetic acid
CID 138811017
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
3-chloro-N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]benzamide
CID 23908069
3-(2-iodophenoxy)piperidine
CID 56831165
2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
CID 106939316
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid
CID 170886796

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid (CID 162658251) is 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CCCNC3)c2)c1.
What is the InChIKey of 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid?
The InChIKey is KUFQHOICNXMBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c27-22-11-10-18(14-24(22)33-21-8-4-12-28-16-21)17-6-3-7-20(13-17)26(32)29-23-9-2-1-5-19(23)15-25(30)31/h1-3,5-7,9-11,13-14,21,28H,4,8,12,15-16H2,(H,29,32)(H,30,31).
What are the key properties of 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid?
2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid has a molecular weight of 464.95 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 162658251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).