tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate

C20H30N2O4 — CID 139332288

IUPACtert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate
SMILESCCC1(Nc2ccc(C(=O)OC)cc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30N2O4/c1-6-20(21-16-9-7-15(8-10-16)17(23)25-5)11-13-22(14-12-20)18(24)26-19(2,3)4/h7-10,21H,6,11-14H2,1-5H3
InChIKeyCCHCKJDRBUVERA-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.06
Rot. Bonds4

About tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate

tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate (PubChem CID 139332288) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate
PubChem CID139332288
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate
SMILESCCC1(Nc2ccc(C(=O)OC)cc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30N2O4/c1-6-20(21-16-9-7-15(8-10-16)17(23)25-5)11-13-22(14-12-20)18(24)26-19(2,3)4/h7-10,21H,6,11-14H2,1-5H3
InChIKeyCCHCKJDRBUVERA-UHFFFAOYSA-N
XLogP4.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(4-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 47039906
tert-butyl 4-hydroxy-4-[(4-methoxycarbonylphenyl)sulfanylmethyl]piperidine-1-carboxylate
CID 67371337
tert-butyl 4-[(4-methoxycarbonylphenyl)-methylcarbamoyl]piperazine-1-carboxylate;ethane
CID 144914031
tert-butyl 3-ethyl-3-(methylamino)pyrrolidine-1-carboxylate
CID 145231619
tert-butyl 4-[(4-ethoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 46743132
methyl 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]indazole-5-carboxylate
CID 176886480
tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
tert-butyl 4-[4-carbamoyl-3-(4-methoxycarbonylanilino)pyrazol-1-yl]-4-(cyanomethyl)piperidine-1-carboxylate
CID 71536248
1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate
CID 170899546
tert-butyl 1-(4-chlorophenyl)-2-(4-methoxycarbonylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 24953807
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475
tert-butyl 4-[(4-butoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 55741049

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate (CID 139332288) is tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate is CCC1(Nc2ccc(C(=O)OC)cc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate?
The InChIKey is CCHCKJDRBUVERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-6-20(21-16-9-7-15(8-10-16)17(23)25-5)11-13-22(14-12-20)18(24)26-19(2,3)4/h7-10,21H,6,11-14H2,1-5H3.
What are the key properties of tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate?
tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-4-(4-methoxycarbonylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 139332288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).