tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate

C21H26N2O4 — CID 168526708

IUPACtert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate
SMILESCc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccco1
InChIInChI=1S/C21H26N2O4/c1-15-7-5-8-16(18(15)17-9-6-14-26-17)19(24)22-10-12-23(13-11-22)20(25)27-21(2,3)4/h5-9,14H,10-13H2,1-4H3
InChIKeyMPWWZSLPFAZDJM-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate

tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate (PubChem CID 168526708) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate
PubChem CID168526708
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Nametert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate
SMILESCc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccco1
InChIInChI=1S/C21H26N2O4/c1-15-7-5-8-16(18(15)17-9-6-14-26-17)19(24)22-10-12-23(13-11-22)20(25)27-21(2,3)4/h5-9,14H,10-13H2,1-4H3
InChIKeyMPWWZSLPFAZDJM-UHFFFAOYSA-N
XLogP3.95
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(5-formylfuran-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate
CID 169334058
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
tert-butyl 4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 46533052
tert-butyl 4-(4-amino-2-methylbenzoyl)piperazine-1-carboxylate
CID 104933242
tert-butyl 4-(2-ethylsulfonylbenzoyl)piperazine-1-carboxylate
CID 38152114
tert-butyl 4-(2-piperidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate
CID 55527282
tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate
CID 82020206
tert-butyl 4-[2-(3-amino-4-cyano-2-methoxycarbonylpyrrol-1-yl)-3-methylbenzoyl]piperazine-1-carboxylate
CID 168548161
tert-butyl 4-(2-isocyanatobenzoyl)piperazine-1-carboxylate
CID 169353901
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate (CID 168526708) is tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate is Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccco1.
What is the InChIKey of tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate?
The InChIKey is MPWWZSLPFAZDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-7-5-8-16(18(15)17-9-6-14-26-17)19(24)22-10-12-23(13-11-22)20(25)27-21(2,3)4/h5-9,14H,10-13H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(furan-2-yl)-3-methylbenzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 168526708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).