[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C28H36N2O6 — CID 27776322

IUPAC[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCOc1ccc(C(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H36N2O6/c1-28(2,3)27(33)30-16-14-21(15-17-30)26(32)36-18-24(31)29-25(19-6-10-22(34-4)11-7-19)20-8-12-23(35-5)13-9-20/h6-13,21,25H,14-18H2,1-5H3,(H,29,31)
InChIKeyKRNMBZSHBGIFBZ-UHFFFAOYSA-N
MW496.60 g/mol
LogP3.74
Rot. Bonds8

About [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 27776322) has the molecular formula C28H36N2O6 and a molecular weight of 496.60 g/mol. Its IUPAC name is [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID27776322
Molecular FormulaC28H36N2O6
Molecular Weight496.60 g/mol
Exact Mass496.26
IUPAC Name[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCOc1ccc(C(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H36N2O6/c1-28(2,3)27(33)30-16-14-21(15-17-30)26(32)36-18-24(31)29-25(19-6-10-22(34-4)11-7-19)20-8-12-23(35-5)13-9-20/h6-13,21,25H,14-18H2,1-5H3,(H,29,31)
InChIKeyKRNMBZSHBGIFBZ-UHFFFAOYSA-N
XLogP3.74
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812420
[2-oxo-2-(phenylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059242
ethyl 1-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8718915
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 55364403
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55367371
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8608961
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711351
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812470
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55367299
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
[2-(2-nitroanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812419
[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711582

Frequently Asked Questions

What is the IUPAC name of [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 27776322) is [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is COc1ccc(C(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is KRNMBZSHBGIFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O6/c1-28(2,3)27(33)30-16-14-21(15-17-30)26(32)36-18-24(31)29-25(19-6-10-22(34-4)11-7-19)20-8-12-23(35-5)13-9-20/h6-13,21,25H,14-18H2,1-5H3,(H,29,31).
What are the key properties of [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 496.60 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 27776322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).