tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate

C21H32N2O4 — CID 110601443

IUPACtert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(OCC(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O4/c1-16-6-8-18(9-7-16)26-15-19(24)22(5)14-17-10-12-23(13-11-17)20(25)27-21(2,3)4/h6-9,17H,10-15H2,1-5H3
InChIKeyNVDQTMWJFHAHSN-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.48
Rot. Bonds5

About tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 110601443) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate
PubChem CID110601443
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Nametert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(OCC(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O4/c1-16-6-8-18(9-7-16)26-15-19(24)22(5)14-17-10-12-23(13-11-17)20(25)27-21(2,3)4/h6-9,17H,10-15H2,1-5H3
InChIKeyNVDQTMWJFHAHSN-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(N,4-dimethylanilino)methyl]piperidine-1-carboxylate;ethane
CID 156860747
tert-butyl 4-[[[2-(4-chlorophenyl)acetyl]-methylamino]methyl]piperidine-1-carboxylate
CID 110601429
tert-butyl 4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 51131918
tert-butyl 4-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 139027539
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[[(2-chloropyrimidin-4-yl)-methylamino]methyl]piperidine-1-carboxylate
CID 71647831
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
tert-butyl 3-[[(2-aminoacetyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66563919
tert-butyl 4-[(4-methylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate
CID 108893156
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl N-[2-[[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
CID 108916531
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate (CID 110601443) is tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate is Cc1ccc(OCC(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is NVDQTMWJFHAHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-16-6-8-18(9-7-16)26-15-19(24)22(5)14-17-10-12-23(13-11-17)20(25)27-21(2,3)4/h6-9,17H,10-15H2,1-5H3.
What are the key properties of tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[methyl-[2-(4-methylphenoxy)acetyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 110601443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).