tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate

C21H32N2O4 — CID 110626925

IUPACtert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate
SMILESCOc1ccccc1CCN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H32N2O4/c1-21(2,3)27-20(25)23-14-11-17(12-15-23)19(24)22(4)13-10-16-8-6-7-9-18(16)26-5/h6-9,17H,10-15H2,1-5H3
InChIKeyQJZOYLHIFUFMDC-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 110626925) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate
PubChem CID110626925
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Nametert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate
SMILESCOc1ccccc1CCN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H32N2O4/c1-21(2,3)27-20(25)23-14-11-17(12-15-23)19(24)22(4)13-10-16-8-6-7-9-18(16)26-5/h6-9,17H,10-15H2,1-5H3
InChIKeyQJZOYLHIFUFMDC-UHFFFAOYSA-N
XLogP3.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2,3-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 31360992
tert-butyl 4-[[2-(2-ethylanilino)-2-oxoethyl]-methylcarbamoyl]piperidine-1-carboxylate
CID 9378593
tert-butyl 4-[[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111340872
(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 124685580
tert-butyl 4-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111215963
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
1-O-tert-butyl 4-O-[2-(2-methoxyphenyl)-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924019
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
tert-butyl 4-[(2-bromophenyl)-methylcarbamoyl]piperidine-1-carboxylate
CID 12027636
tert-butyl 4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
CID 31339965
tert-butyl 4-[(2-fluorophenyl)methyl-propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 71632883
tert-butyl 4-[2-[4-(4-methoxyphenyl)butyl]phenoxy]piperidine-1-carboxylate
CID 139719915

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate (CID 110626925) is tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate is COc1ccccc1CCN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is QJZOYLHIFUFMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-21(2,3)27-20(25)23-14-11-17(12-15-23)19(24)22(4)13-10-16-8-6-7-9-18(16)26-5/h6-9,17H,10-15H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-methoxyphenyl)ethyl-methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110626925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).