tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate

C26H37N3O5 — CID 159010283

IUPACtert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate
SMILESCCc1oc(-c2ccc(C(=O)NC3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2OC)cc1NC
InChIInChI=1S/C26H37N3O5/c1-8-20-19(27-6)16-22(33-20)18-10-9-17(15-21(18)32-7)23(30)28-26(5)11-13-29(14-12-26)24(31)34-25(2,3)4/h9-10,15-16,27H,8,11-14H2,1-7H3,(H,28,30)
InChIKeyJSKAJIVOBMVDIF-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.08
Rot. Bonds6

About tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate (PubChem CID 159010283) has the molecular formula C26H37N3O5 and a molecular weight of 471.60 g/mol. Its IUPAC name is tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate
PubChem CID159010283
Molecular FormulaC26H37N3O5
Molecular Weight471.60 g/mol
Exact Mass471.27
IUPAC Nametert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate
SMILESCCc1oc(-c2ccc(C(=O)NC3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2OC)cc1NC
InChIInChI=1S/C26H37N3O5/c1-8-20-19(27-6)16-22(33-20)18-10-9-17(15-21(18)32-7)23(30)28-26(5)11-13-29(14-12-26)24(31)34-25(2,3)4/h9-10,15-16,27H,8,11-14H2,1-7H3,(H,28,30)
InChIKeyJSKAJIVOBMVDIF-UHFFFAOYSA-N
XLogP5.08
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(4-ethynylbenzoyl)amino]-4-methylpiperidine-1-carboxylate
CID 150372713
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl 4-[2-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]ethyl]piperazine-1-carboxylate
CID 55932124
tert-butyl 4-methyl-4-[[2-(4-methylsulfonylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 141491131
tert-butyl 4-(3-methoxy-4-nitrobenzoyl)piperazine-1-carboxylate
CID 86725397
tert-butyl 4-(3,5-dimethylbenzoyl)-4-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 59713394
tert-butyl 3-[[3-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175084829
tert-butyl 4-[(3-hydroxyphenyl)methylamino]-4-methylpiperidine-1-carboxylate
CID 104956392
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
CID 104956396
tert-butyl 4-[4-(2-cyanoacetyl)-3-methoxyphenyl]-4-fluoropiperidine-1-carboxylate
CID 118294812
tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate
CID 139332288

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate (CID 159010283) is tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate is CCc1oc(-c2ccc(C(=O)NC3(C)CCN(C(=O)OC(C)(C)C)CC3)cc2OC)cc1NC.
What is the InChIKey of tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate?
The InChIKey is JSKAJIVOBMVDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5/c1-8-20-19(27-6)16-22(33-20)18-10-9-17(15-21(18)32-7)23(30)28-26(5)11-13-29(14-12-26)24(31)34-25(2,3)4/h9-10,15-16,27H,8,11-14H2,1-7H3,(H,28,30).
What are the key properties of tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate has a molecular weight of 471.60 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[5-ethyl-4-(methylamino)furan-2-yl]-3-methoxybenzoyl]amino]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 159010283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).