2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid

C23H27NO4 — CID 101473695

IUPAC2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid
SMILESO=C(O)CC1(CCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H27NO4/c25-21(26)17-23(12-11-19-7-3-1-4-8-19)13-15-24(16-14-23)22(27)28-18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,25,26)
InChIKeyISMWEOJGSWCZJN-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.51
Rot. Bonds7

About 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid

2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid (PubChem CID 101473695) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid
PubChem CID101473695
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid
SMILESO=C(O)CC1(CCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C23H27NO4/c25-21(26)17-23(12-11-19-7-3-1-4-8-19)13-15-24(16-14-23)22(27)28-18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,25,26)
InChIKeyISMWEOJGSWCZJN-UHFFFAOYSA-N
XLogP4.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
CID 70136146
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid?
The IUPAC name of 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid (CID 101473695) is 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid is O=C(O)CC1(CCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid?
The InChIKey is ISMWEOJGSWCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c25-21(26)17-23(12-11-19-7-3-1-4-8-19)13-15-24(16-14-23)22(27)28-18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,25,26).
What are the key properties of 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid?
2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid has a molecular weight of 381.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethyl)-1-phenylmethoxycarbonylpiperidin-4-yl]acetic acid is sourced from PubChem (CID 101473695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).