2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate

C18H26N2O4 — CID 108566230

IUPAC2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate
SMILESCC(C)COC(=O)NC1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H26N2O4/c1-14(2)12-24-18(22)19-15-8-10-20(11-9-15)17(21)13-23-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22)
InChIKeyRVUKTIPPHYXATA-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.44
Rot. Bonds6

About 2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate

2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate (PubChem CID 108566230) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate
PubChem CID108566230
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate
SMILESCC(C)COC(=O)NC1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H26N2O4/c1-14(2)12-24-18(22)19-15-8-10-20(11-9-15)17(21)13-23-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22)
InChIKeyRVUKTIPPHYXATA-UHFFFAOYSA-N
XLogP2.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565236
2-methylpropyl N-(1-propanoylpiperidin-4-yl)carbamate
CID 108566379
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
CID 108567264
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
2-chloroethyl N-[1-(3-phenoxypropanoyl)piperidin-4-yl]carbamate
CID 108565920
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate (CID 108566230) is 2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate is CC(C)COC(=O)NC1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate?
The InChIKey is RVUKTIPPHYXATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-14(2)12-24-18(22)19-15-8-10-20(11-9-15)17(21)13-23-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22).
What are the key properties of 2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate?
2-methylpropyl N-[1-(2-phenoxyacetyl)piperidin-4-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 2.44, 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-phenoxyacetyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108566230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).