tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate

C26H34N2O6 — CID 55736788

IUPACtert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
SMILESCOc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H34N2O6/c1-26(2,3)34-25(30)27-20-11-13-28(14-12-20)24(29)19-15-21(31-4)23(22(16-19)32-5)33-17-18-9-7-6-8-10-18/h6-10,15-16,20H,11-14,17H2,1-5H3,(H,27,30)
InChIKeySWLUPXUDOADEQZ-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.41
Rot. Bonds7

About tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate (PubChem CID 55736788) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
PubChem CID55736788
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Nametert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
SMILESCOc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H34N2O6/c1-26(2,3)34-25(30)27-20-11-13-28(14-12-20)24(29)19-15-21(31-4)23(22(16-19)32-5)33-17-18-9-7-6-8-10-18/h6-10,15-16,20H,11-14,17H2,1-5H3,(H,27,30)
InChIKeySWLUPXUDOADEQZ-UHFFFAOYSA-N
XLogP4.41
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]carbamate
CID 55736625
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119412235
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
CID 56511756
tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate
CID 55870043
N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 24547474

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate (CID 55736788) is tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate is COc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate?
The InChIKey is SWLUPXUDOADEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-26(2,3)34-25(30)27-20-11-13-28(14-12-20)24(29)19-15-21(31-4)23(22(16-19)32-5)33-17-18-9-7-6-8-10-18/h6-10,15-16,20H,11-14,17H2,1-5H3,(H,27,30).
What are the key properties of tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate has a molecular weight of 470.57 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 55736788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).