2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid

C23H25Cl2NO3 — CID 89482239

IUPAC2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid
SMILESCC(C)(c1ccc(Cl)cc1)C1(C)NC(=O)C(CC(=O)O)CC1c1cccc(Cl)c1
InChIInChI=1S/C23H25Cl2NO3/c1-22(2,16-7-9-17(24)10-8-16)23(3)19(14-5-4-6-18(25)11-14)12-15(13-20(27)28)21(29)26-23/h4-11,15,19H,12-13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyMYEIVHCSRGSJTM-UHFFFAOYSA-N
MW434.36 g/mol
LogP5.42
Rot. Bonds5

About 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid

2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid (PubChem CID 89482239) has the molecular formula C23H25Cl2NO3 and a molecular weight of 434.36 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid
PubChem CID89482239
Molecular FormulaC23H25Cl2NO3
Molecular Weight434.36 g/mol
Exact Mass433.12
IUPAC Name2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid
SMILESCC(C)(c1ccc(Cl)cc1)C1(C)NC(=O)C(CC(=O)O)CC1c1cccc(Cl)c1
InChIInChI=1S/C23H25Cl2NO3/c1-22(2,16-7-9-17(24)10-8-16)23(3)19(14-5-4-6-18(25)11-14)12-15(13-20(27)28)21(29)26-23/h4-11,15,19H,12-13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyMYEIVHCSRGSJTM-UHFFFAOYSA-N
XLogP5.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,5R,6S)-6-amino-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxo-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 138642316
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopentylmethyl]-2-oxopiperidin-3-yl]acetic acid
CID 89481768
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[3-[(S)-(4-chlorophenyl)-propan-2-ylsulfonylmethyl]pentan-2-yl]-2-oxopiperidin-3-yl]acetic acid
CID 89481271
2-[(3R,3'R,5'R)-6-chloro-5'-(3-chlorophenyl)-1'-(cyclopropylmethyl)-2,2'-dioxospiro[1H-indole-3,6'-piperidine]-3'-yl]acetic acid
CID 67999286
[2-(3-chlorophenyl)-1-methylcyclopropyl]methanol
CID 139784418
2-[(3S,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-(2-hydroxy-2-methylpropoxy)butan-2-yl]-2-oxopiperidin-3-yl]acetic acid
CID 147865191
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[(4S)-4-(4-chlorophenyl)-4-morpholin-4-ylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid
CID 89481309
2-[(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-methoxybutan-2-yl]-2-oxopiperidin-3-yl]acetic acid
CID 129153536
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[4-(4-chlorophenyl)-4-[ethylsulfonyl(methyl)amino]-3-methylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid
CID 89481361
2-[(3R,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
CID 58573344
2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxybutan-2-yl)-2-oxopiperidin-3-yl]acetic acid
CID 67999748
(3S,5R,6S)-5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)-2-cyclopropyl-2-hydroxyethyl]-3-methyl-3-prop-2-enylpiperidin-2-one
CID 89480944

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid (CID 89482239) is 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid is CC(C)(c1ccc(Cl)cc1)C1(C)NC(=O)C(CC(=O)O)CC1c1cccc(Cl)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid?
The InChIKey is MYEIVHCSRGSJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO3/c1-22(2,16-7-9-17(24)10-8-16)23(3)19(14-5-4-6-18(25)11-14)12-15(13-20(27)28)21(29)26-23/h4-11,15,19H,12-13H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid?
2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid has a molecular weight of 434.36 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-6-[2-(4-chlorophenyl)propan-2-yl]-6-methyl-2-oxopiperidin-3-yl]acetic acid is sourced from PubChem (CID 89482239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).