2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate

C21H32N2O4 — CID 108565236

IUPAC2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)OCC(C)C)CC2)c1C
InChIInChI=1S/C21H32N2O4/c1-14(2)12-27-21(25)22-18-8-10-23(11-9-18)19(24)13-26-20-16(4)7-6-15(3)17(20)5/h6-7,14,18H,8-13H2,1-5H3,(H,22,25)
InChIKeyCYIAYHZLSGRBRW-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.36
Rot. Bonds6

About 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate

2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate (PubChem CID 108565236) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate
PubChem CID108565236
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)OCC(C)C)CC2)c1C
InChIInChI=1S/C21H32N2O4/c1-14(2)12-27-21(25)22-18-8-10-23(11-9-18)19(24)13-26-20-16(4)7-6-15(3)17(20)5/h6-7,14,18H,8-13H2,1-5H3,(H,22,25)
InChIKeyCYIAYHZLSGRBRW-UHFFFAOYSA-N
XLogP3.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108558496
2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate
CID 108566230
2-(4-chlorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108565232
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554034
4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108558559
2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate
CID 108566379
N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 46982810
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225
N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553233
2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
CID 108567264
phenyl 4-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560995

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate (CID 108565236) is 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate is Cc1ccc(C)c(OCC(=O)N2CCC(NC(=O)OCC(C)C)CC2)c1C.
What is the InChIKey of 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate?
The InChIKey is CYIAYHZLSGRBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-14(2)12-27-21(25)22-18-8-10-23(11-9-18)19(24)13-26-20-16(4)7-6-15(3)17(20)5/h6-7,14,18H,8-13H2,1-5H3,(H,22,25).
What are the key properties of 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate?
2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate has a molecular weight of 376.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108565236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).