tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate

C26H33NO6 — CID 140923020

IUPACtert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)c2cccc(COC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC
InChIInChI=1S/C26H33NO6/c1-26(2,3)33-25(29)27-13-11-21(12-14-27)32-17-18-7-6-8-19(15-18)24(28)20-9-10-22(30-4)23(16-20)31-5/h6-10,15-16,21H,11-14,17H2,1-5H3
InChIKeyRJAPRCIHOVMUEY-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.85
Rot. Bonds7

About tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate

tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate (PubChem CID 140923020) has the molecular formula C26H33NO6 and a molecular weight of 455.55 g/mol. Its IUPAC name is tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate
PubChem CID140923020
Molecular FormulaC26H33NO6
Molecular Weight455.55 g/mol
Exact Mass455.23
IUPAC Nametert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)c2cccc(COC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC
InChIInChI=1S/C26H33NO6/c1-26(2,3)33-25(29)27-13-11-21(12-14-27)32-17-18-7-6-8-19(15-18)24(28)20-9-10-22(30-4)23(16-20)31-5/h6-10,15-16,21H,11-14,17H2,1-5H3
InChIKeyRJAPRCIHOVMUEY-UHFFFAOYSA-N
XLogP4.85
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
tert-butyl 4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methoxy]piperidine-1-carboxylate
CID 59504710
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
CID 141417890
tert-butyl 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 86604453
tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 66587122
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171082302
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
tert-butyl 4-[[3-(3-methoxy-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022787

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate (CID 140923020) is tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate is COc1ccc(C(=O)c2cccc(COC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OC.
What is the InChIKey of tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate?
The InChIKey is RJAPRCIHOVMUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO6/c1-26(2,3)33-25(29)27-13-11-21(12-14-27)32-17-18-7-6-8-19(15-18)24(28)20-9-10-22(30-4)23(16-20)31-5/h6-10,15-16,21H,11-14,17H2,1-5H3.
What are the key properties of tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate?
tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate has a molecular weight of 455.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 140923020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).