[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate

C22H22Cl2N2O4 — CID 35990301

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)(c2ccccc2)CC1
InChIInChI=1S/C22H22Cl2N2O4/c1-15(27)26-12-10-22(11-13-26,16-6-3-2-4-7-16)21(29)30-14-19(28)25-20-17(23)8-5-9-18(20)24/h2-9H,10-14H2,1H3,(H,25,28)
InChIKeyJAIDXNYFJMSLMG-UHFFFAOYSA-N
MW449.33 g/mol
LogP4.06
Rot. Bonds5

About [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate

[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 35990301) has the molecular formula C22H22Cl2N2O4 and a molecular weight of 449.33 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID35990301
Molecular FormulaC22H22Cl2N2O4
Molecular Weight449.33 g/mol
Exact Mass448.10
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)(c2ccccc2)CC1
InChIInChI=1S/C22H22Cl2N2O4/c1-15(27)26-12-10-22(11-13-26,16-6-3-2-4-7-16)21(29)30-14-19(28)25-20-17(23)8-5-9-18(20)24/h2-9H,10-14H2,1H3,(H,25,28)
InChIKeyJAIDXNYFJMSLMG-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990278
(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526973
[2-(2-methylpropylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526930
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35974572
[2-(3,4-dichlorophenyl)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42983074
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611350
[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611306
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611135
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526904
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526239
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
[2-(butylcarbamoylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8949977

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 35990301) is [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is CC(=O)N1CCC(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)(c2ccccc2)CC1.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is JAIDXNYFJMSLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O4/c1-15(27)26-12-10-22(11-13-26,16-6-3-2-4-7-16)21(29)30-14-19(28)25-20-17(23)8-5-9-18(20)24/h2-9H,10-14H2,1H3,(H,25,28).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 449.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 35990301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).