tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate

C17H26N2O3 — CID 22557965

IUPACtert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
SMILESCOc1cccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-8-13(9-11-19)18-14-6-5-7-15(12-14)21-4/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyURSXBNJEPPKHPL-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.51
Rot. Bonds3

About tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate

tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate (PubChem CID 22557965) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
PubChem CID22557965
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
SMILESCOc1cccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-8-13(9-11-19)18-14-6-5-7-15(12-14)21-4/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyURSXBNJEPPKHPL-UHFFFAOYSA-N
XLogP3.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-methoxyanilino)azepane-1-carboxylate
CID 103980589
tert-butyl 4-[3-[[ethyl(methyl)amino]methyl]anilino]piperidine-1-carboxylate;ethane
CID 143307618
tert-butyl 3-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 11150503
tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate
CID 126847258
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
CID 3570393
tert-butyl 4-[4-methoxy-3-[(E)-prop-1-enyl]anilino]piperidine-1-carboxylate
CID 171103264
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone
CID 100616310
tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate
CID 54491063
tert-butyl 4-[4-amino-3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 89025289

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate (CID 22557965) is tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate is COc1cccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate?
The InChIKey is URSXBNJEPPKHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-8-13(9-11-19)18-14-6-5-7-15(12-14)21-4/h5-7,12-13,18H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate?
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate is sourced from PubChem (CID 22557965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).