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

C24H32FN3O3 — CID 171051070

IUPAC(1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate
SMILESCC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)OC2CCN(C)CC2)cc1
InChIInChI=1S/C24H32FN3O3/c1-18(2)17-30-22-8-4-19(5-9-22)15-28(16-21-7-6-20(25)14-26-21)24(29)31-23-10-12-27(3)13-11-23/h4-9,14,18,23H,10-13,15-17H2,1-3H3
InChIKeyAMGZITNSSWRHFB-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.49
Rot. Bonds8

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

(1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate (PubChem CID 171051070) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate
PubChem CID171051070
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name(1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate
SMILESCC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)OC2CCN(C)CC2)cc1
InChIInChI=1S/C24H32FN3O3/c1-18(2)17-30-22-8-4-19(5-9-22)15-28(16-21-7-6-20(25)14-26-21)24(29)31-23-10-12-27(3)13-11-23/h4-9,14,18,23H,10-13,15-17H2,1-3H3
InChIKeyAMGZITNSSWRHFB-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

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

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Related Compounds

1-Butyl-4-{3-fluoro-4-[(2-methylpyridin-4-yl)oxy]phenyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 25002940
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
4-(Pyridin-2-yl)phenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 9883676
4-[[Acetyl[[4-(tetradecyloxy)phenyl]methyl]amino]methyl]-1-methylpyridinium iodide
CID 10348470
2-(4-Butoxy-phenyl)-pyrazine
CID 11345209
N,N-diethyl-3-(8-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983840
2,6-Dimethyl-morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635513
Methyl-o-tolyl-carbamic acid 4-(trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635515
Methyl-p-tolyl-carbamic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester
CID 23635516
4-Methyl-piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635635
4-Benzyl-piperidine-1-carboxylic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester
CID 23635636

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate (CID 171051070) is (1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate is CC(C)COc1ccc(CN(Cc2ccc(F)cn2)C(=O)OC2CCN(C)CC2)cc1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate?
The InChIKey is AMGZITNSSWRHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-18(2)17-30-22-8-4-19(5-9-22)15-28(16-21-7-6-20(25)14-26-21)24(29)31-23-10-12-27(3)13-11-23/h4-9,14,18,23H,10-13,15-17H2,1-3H3.
What are the key properties of (1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate?
(1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]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 (1-methylpiperidin-4-yl) N-[(5-fluoro-2-pyridinyl)methyl]-N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate is sourced from PubChem (CID 171051070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).