tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate

C20H26N2O5 — CID 70197899

IUPACtert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate
SMILESCOc1cccc2occ(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C20H26N2O5/c1-20(2,3)27-19(24)21-13-8-10-22(11-9-13)18(23)14-12-26-16-7-5-6-15(25-4)17(14)16/h5-7,12-13H,8-11H2,1-4H3,(H,21,24)
InChIKeyKVCXSAPEPMSWPO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.57
Rot. Bonds3

About tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate (PubChem CID 70197899) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate
PubChem CID70197899
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nametert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate
SMILESCOc1cccc2occ(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C20H26N2O5/c1-20(2,3)27-19(24)21-13-8-10-22(11-9-13)18(23)14-12-26-16-7-5-6-15(25-4)17(14)16/h5-7,12-13H,8-11H2,1-4H3,(H,21,24)
InChIKeyKVCXSAPEPMSWPO-UHFFFAOYSA-N
XLogP3.57
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
tert-butyl N-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]carbamate
CID 51116269
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
tert-butyl N-[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548229
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate
CID 55870043
tert-butyl N-[1-[[2-(dimethylamino)-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
CID 58006150
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
tert-butyl N-[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]carbamate
CID 55736625
tert-butyl N-[1-[[2-[2-(dimethylamino)ethyl-methylamino]-6-methoxyphenyl]methyl]piperidin-4-yl]carbamate
CID 68952873
tert-butyl 4-[(2-bromo-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 172648076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate (CID 70197899) is tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate is COc1cccc2occ(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c12.
What is the InChIKey of tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is KVCXSAPEPMSWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-20(2,3)27-19(24)21-13-8-10-22(11-9-13)18(23)14-12-26-16-7-5-6-15(25-4)17(14)16/h5-7,12-13H,8-11H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 374.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 70197899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).