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

C20H30N2O6 — CID 55736285

IUPACtert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
SMILESCOc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C20H30N2O6/c1-20(2,3)28-19(24)21-14-7-9-22(10-8-14)18(23)13-11-15(25-4)17(27-6)16(12-13)26-5/h11-12,14H,7-10H2,1-6H3,(H,21,24)
InChIKeyLQAFMDMMXCGBQH-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.84
Rot. Bonds5

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

tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate (PubChem CID 55736285) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
PubChem CID55736285
Molecular FormulaC20H30N2O6
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC Nametert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
SMILESCOc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C20H30N2O6/c1-20(2,3)28-19(24)21-14-7-9-22(10-8-14)18(23)13-11-15(25-4)17(27-6)16(12-13)26-5/h11-12,14H,7-10H2,1-6H3,(H,21,24)
InChIKeyLQAFMDMMXCGBQH-UHFFFAOYSA-N
XLogP2.84
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
tert-butyl N-[1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]carbamate
CID 55736349
tert-butyl N-[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]carbamate
CID 55736625
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[2-oxo-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethyl]carbamate
CID 108532803
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
CID 108555226
methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
CID 108564110
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate (CID 55736285) is tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate is COc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc(OC)c1OC.
What is the InChIKey of tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate?
The InChIKey is LQAFMDMMXCGBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6/c1-20(2,3)28-19(24)21-14-7-9-22(10-8-14)18(23)13-11-15(25-4)17(27-6)16(12-13)26-5/h11-12,14H,7-10H2,1-6H3,(H,21,24).
What are the key properties of tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate has a molecular weight of 394.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 55736285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).