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

C26H32N2O4 — CID 35990278

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1
InChIInChI=1S/C26H32N2O4/c1-4-20-10-9-11-21(5-2)24(20)27-23(30)18-32-25(31)26(22-12-7-6-8-13-22)14-16-28(17-15-26)19(3)29/h6-13H,4-5,14-18H2,1-3H3,(H,27,30)
InChIKeySBQPFFAVOUVEHI-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.87
Rot. Bonds7

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

[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 35990278) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID35990278
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1
InChIInChI=1S/C26H32N2O4/c1-4-20-10-9-11-21(5-2)24(20)27-23(30)18-32-25(31)26(22-12-7-6-8-13-22)14-16-28(17-15-26)19(3)29/h6-13H,4-5,14-18H2,1-3H3,(H,27,30)
InChIKeySBQPFFAVOUVEHI-UHFFFAOYSA-N
XLogP3.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611306
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990301
[2-(2,6-diethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353652
[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-(butylcarbamoylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8949977
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526904
naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526911
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 11929188
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 27097419
(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526973

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 35990278) is [2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is CCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is SBQPFFAVOUVEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-4-20-10-9-11-21(5-2)24(20)27-23(30)18-32-25(31)26(22-12-7-6-8-13-22)14-16-28(17-15-26)19(3)29/h6-13H,4-5,14-18H2,1-3H3,(H,27,30).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 436.55 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 35990278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).