tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate

C23H30N2O6 — CID 55870043

IUPACtert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C23H30N2O6/c1-23(2,3)31-22(27)24-16-11-13-25(14-12-16)21(26)20-10-9-17(30-20)15-29-19-8-6-5-7-18(19)28-4/h5-10,16H,11-15H2,1-4H3,(H,24,27)
InChIKeyHFKOUIROQWCIHZ-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.00
Rot. Bonds6

About tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate (PubChem CID 55870043) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate
PubChem CID55870043
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Nametert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C23H30N2O6/c1-23(2,3)31-22(27)24-16-11-13-25(14-12-16)21(26)20-10-9-17(30-20)15-29-19-8-6-5-7-18(19)28-4/h5-10,16H,11-15H2,1-4H3,(H,24,27)
InChIKeyHFKOUIROQWCIHZ-UHFFFAOYSA-N
XLogP4.00
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.00
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-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 125415613
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 1084331
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
tert-butyl N-[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]carbamate
CID 55736625
tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate
CID 70197899
tert-butyl 4-[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]-1,4-diazepane-1-carboxylate
CID 95752648
tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 46513396
tert-butyl N-[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548229
1-[3-fluoro-4-[4-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55760106
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914855

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate (CID 55870043) is tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate is COc1ccccc1OCc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)o1.
What is the InChIKey of tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate?
The InChIKey is HFKOUIROQWCIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-23(2,3)31-22(27)24-16-11-13-25(14-12-16)21(26)20-10-9-17(30-20)15-29-19-8-6-5-7-18(19)28-4/h5-10,16H,11-15H2,1-4H3,(H,24,27).
What are the key properties of tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate has a molecular weight of 430.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55870043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).