methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate

C18H28N2O2 — CID 19913817

IUPACmethyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate
SMILESCOC(=O)N(CC(C)C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-15(2)13-20(18(21)22-3)17-9-11-19(12-10-17)14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyWIIMMDMVMXRQFS-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.38
Rot. Bonds5

About methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate

methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate (PubChem CID 19913817) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate
PubChem CID19913817
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Namemethyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate
SMILESCOC(=O)N(CC(C)C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-15(2)13-20(18(21)22-3)17-9-11-19(12-10-17)14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyWIIMMDMVMXRQFS-UHFFFAOYSA-N
XLogP3.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate?
The IUPAC name of methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate (CID 19913817) is methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate.
What is the SMILES notation for methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate?
The canonical SMILES for methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate is COC(=O)N(CC(C)C)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate?
The InChIKey is WIIMMDMVMXRQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(2)13-20(18(21)22-3)17-9-11-19(12-10-17)14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3.
What are the key properties of methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate?
methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-benzylpiperidin-4-yl)-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 19913817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).