tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate

C20H30N2O4 — CID 101043182

IUPACtert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate
SMILESCC(C)Oc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC=O
InChIInChI=1S/C20H30N2O4/c1-14(2)25-18-12-16(6-7-17(18)21-13-23)15-8-10-22(11-9-15)19(24)26-20(3,4)5/h6-7,12-15H,8-11H2,1-5H3,(H,21,23)
InChIKeyIGOVFZXXIGKMKM-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.16
Rot. Bonds5

About tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate (PubChem CID 101043182) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate
PubChem CID101043182
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate
SMILESCC(C)Oc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC=O
InChIInChI=1S/C20H30N2O4/c1-14(2)25-18-12-16(6-7-17(18)21-13-23)15-8-10-22(11-9-15)19(24)26-20(3,4)5/h6-7,12-15H,8-11H2,1-5H3,(H,21,23)
InChIKeyIGOVFZXXIGKMKM-UHFFFAOYSA-N
XLogP4.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719
tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate
CID 125396711
tert-butyl 4-(4-formyl-3-methylphenyl)piperidine-1-carboxylate
CID 130199926
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
CID 170459039
tert-butyl 4-(4-isocyano-3-methylphenyl)piperidine-1-carboxylate
CID 58559209
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226
tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
CID 22049422
tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate
CID 165372589
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate (CID 101043182) is tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate is CC(C)Oc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC=O.
What is the InChIKey of tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate?
The InChIKey is IGOVFZXXIGKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-14(2)25-18-12-16(6-7-17(18)21-13-23)15-8-10-22(11-9-15)19(24)26-20(3,4)5/h6-7,12-15H,8-11H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 101043182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).