tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate

C21H26N2O5 — CID 46513396

IUPACtert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1
InChIInChI=1S/C21H26N2O5/c1-21(2,3)28-20(25)23-13-11-22(12-14-23)19(24)18-10-9-17(27-18)15-26-16-7-5-4-6-8-16/h4-10H,11-15H2,1-3H3
InChIKeyZNZAFTVUKGYZGM-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.55
Rot. Bonds4

About tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate

tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate (PubChem CID 46513396) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
PubChem CID46513396
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Nametert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1
InChIInChI=1S/C21H26N2O5/c1-21(2,3)28-20(25)23-13-11-22(12-14-23)19(24)18-10-9-17(27-18)15-26-16-7-5-4-6-8-16/h4-10H,11-15H2,1-3H3
InChIKeyZNZAFTVUKGYZGM-UHFFFAOYSA-N
XLogP3.55
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]-1,4-diazepane-1-carboxylate
CID 95752526
tert-butyl 4-[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]-1,4-diazepane-1-carboxylate
CID 95752648
tert-butyl 4-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]-1,4-diazepane-1-carboxylate
CID 95752559
[4-(benzenesulfonyl)piperazin-1-yl]-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]methanone
CID 19585294
[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 78882516
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563
N-(4-fluorophenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-yl]acetamide
CID 17439081
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665248
[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 19579214
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 95590181
(4-benzylpiperazin-1-yl)-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 46488837
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 31667574

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate (CID 46513396) is tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1.
What is the InChIKey of tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is ZNZAFTVUKGYZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-21(2,3)28-20(25)23-13-11-22(12-14-23)19(24)18-10-9-17(27-18)15-26-16-7-5-4-6-8-16/h4-10H,11-15H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate?
tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 46513396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).