(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid

C15H18Cl2N2O3 — CID 7591841

IUPAC(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
SMILESO=C(C[C@H](C(=O)O)N1CCCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c16-10-4-5-11(17)12(8-10)18-14(20)9-13(15(21)22)19-6-2-1-3-7-19/h4-5,8,13H,1-3,6-7,9H2,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyMUEJGESZZRDCOR-CYBMUJFWSA-N
MW345.23 g/mol
LogP3.26
Rot. Bonds5

About (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid

(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid (PubChem CID 7591841) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
PubChem CID7591841
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
SMILESO=C(C[C@H](C(=O)O)N1CCCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O3/c16-10-4-5-11(17)12(8-10)18-14(20)9-13(15(21)22)19-6-2-1-3-7-19/h4-5,8,13H,1-3,6-7,9H2,(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyMUEJGESZZRDCOR-CYBMUJFWSA-N
XLogP3.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591839
4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 3377027
(2S)-4-(5-chloro-2-methylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 7422185
(3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide
CID 76959171
5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 62964001
4-(5-chloro-2-methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 16803555
4-(2-chloro-5-nitroanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 18858489
4-(4-chloroanilino)-4-oxo-3-piperidin-1-ylbutanoic acid
CID 2957775
(2S)-4-(4-anilinoanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591412
(3S)-3-(azepan-1-yl)-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7247950
4-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylbutanoic acid;hydrate
CID 21152996
(2S)-4-(2,5-dichloroanilino)-2-(ethylamino)-4-oxobutanoic acid
CID 7591851

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid?
The IUPAC name of (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid (CID 7591841) is (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid.
What is the SMILES notation for (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid?
The canonical SMILES for (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid is O=C(C[C@H](C(=O)O)N1CCCCC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid?
The InChIKey is MUEJGESZZRDCOR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c16-10-4-5-11(17)12(8-10)18-14(20)9-13(15(21)22)19-6-2-1-3-7-19/h4-5,8,13H,1-3,6-7,9H2,(H,18,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid?
(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid has a molecular weight of 345.23 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 7591841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).