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

C28H35NO7 — CID 58133267

IUPAC[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1CCN(C(=O)OC(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)CC1
InChIInChI=1S/C28H35NO7/c1-6-28(2,3)26(31)35-23-15-17-29(18-16-23)27(32)36-25(20-9-13-22(34-5)14-10-20)24(30)19-7-11-21(33-4)12-8-19/h7-14,23,25H,6,15-18H2,1-5H3
InChIKeyJEIAYLZNKGZMQV-UHFFFAOYSA-N
MW497.59 g/mol
LogP5.21
Rot. Bonds9

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

[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate (PubChem CID 58133267) has the molecular formula C28H35NO7 and a molecular weight of 497.59 g/mol. Its IUPAC name is [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
PubChem CID58133267
Molecular FormulaC28H35NO7
Molecular Weight497.59 g/mol
Exact Mass497.24
IUPAC Name[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1CCN(C(=O)OC(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)CC1
InChIInChI=1S/C28H35NO7/c1-6-28(2,3)26(31)35-23-15-17-29(18-16-23)27(32)36-25(20-9-13-22(34-5)14-10-20)24(30)19-7-11-21(33-4)12-8-19/h7-14,23,25H,6,15-18H2,1-5H3
InChIKeyJEIAYLZNKGZMQV-UHFFFAOYSA-N
XLogP5.21
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate
CID 163632936
[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 170231670
tert-butyl 4-[[1-(4-methoxyphenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113250404
2-methoxy-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
CID 70065571
[1-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]piperidin-4-yl] 2,2-dimethylbutanoate;2,2-dimethyl-N-[2-[4-[(E)-3-(4-octoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]butanamide;N-[2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]-2,2-dimethylbutanamide;2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl 2,2-dimethylbutanoate;[1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-4-yl] 2,2-dimethylbutanoate;2-[4-[(E)-3-(4-octoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl 2,2-dimethylbutanoate
CID 162128551
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(2S,3R)-2-ethyl-1,3-bis(4-methoxyphenyl)pentan-1-one
CID 124640163
(2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one
CID 6993745
propan-2-yl 4-benzoyloxypiperidine-1-carboxylate
CID 143813196
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
CID 10385289
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The IUPAC name of [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate (CID 58133267) is [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate is CCC(C)(C)C(=O)OC1CCN(C(=O)OC(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)CC1.
What is the InChIKey of [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The InChIKey is JEIAYLZNKGZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO7/c1-6-28(2,3)26(31)35-23-15-17-29(18-16-23)27(32)36-25(20-9-13-22(34-5)14-10-20)24(30)19-7-11-21(33-4)12-8-19/h7-14,23,25H,6,15-18H2,1-5H3.
What are the key properties of [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate has a molecular weight of 497.59 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 58133267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).