[4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate

C24H32FN3O3 — CID 163685225

IUPAC[4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate
SMILESCC(C)COc1ccc(COC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1
InChIInChI=1S/C24H32FN3O3/c1-18(2)16-30-23-8-4-19(5-9-23)17-31-24(29)28(22-10-12-27(3)13-11-22)15-21-7-6-20(25)14-26-21/h4-9,14,18,22H,10-13,15-17H2,1-3H3
InChIKeyJOHIZHSVLNZEFM-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.49
Rot. Bonds8

About [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate

[4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 163685225) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name[4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate
PubChem CID163685225
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name[4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate
SMILESCC(C)COc1ccc(COC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1
InChIInChI=1S/C24H32FN3O3/c1-18(2)16-30-23-8-4-19(5-9-23)17-31-24(29)28(22-10-12-27(3)13-11-22)15-21-7-6-20(25)14-26-21/h4-9,14,18,22H,10-13,15-17H2,1-3H3
InChIKeyJOHIZHSVLNZEFM-UHFFFAOYSA-N
XLogP4.49
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate (CID 163685225) is [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate is CC(C)COc1ccc(COC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1.
What is the InChIKey of [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is JOHIZHSVLNZEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-18(2)16-30-23-8-4-19(5-9-23)17-31-24(29)28(22-10-12-27(3)13-11-22)15-21-7-6-20(25)14-26-21/h4-9,14,18,22H,10-13,15-17H2,1-3H3.
What are the key properties of [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate?
[4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 429.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropoxy)phenyl]methyl N-[(5-fluoro-2-pyridinyl)methyl]-N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 163685225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).