(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide

C16H22FN3O3 — CID 31793508

IUPAC(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C16H22FN3O3/c1-19(9-10-23-14-6-4-13(17)5-7-14)15(21)12-3-2-8-20(11-12)16(18)22/h4-7,12H,2-3,8-11H2,1H3,(H2,18,22)/t12-/m0/s1
InChIKeyBWOXIJDPTNETMF-LBPRGKRZSA-N
MW323.37 g/mol
LogP1.45
Rot. Bonds5

About (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide

(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide (PubChem CID 31793508) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
PubChem CID31793508
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C16H22FN3O3/c1-19(9-10-23-14-6-4-13(17)5-7-14)15(21)12-3-2-8-20(11-12)16(18)22/h4-7,12H,2-3,8-11H2,1H3,(H2,18,22)/t12-/m0/s1
InChIKeyBWOXIJDPTNETMF-LBPRGKRZSA-N
XLogP1.45
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide
CID 70730280
1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 55731272
1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55870530
9-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984064
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
1-(4-fluorophenyl)sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 55897208
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 94393772
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826684
1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide
CID 45178689
3-cyclohexyl-1-[2-(4-fluorophenoxy)ethyl]-1-methylthiourea
CID 9241354
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide (CID 31793508) is (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide is CN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCCN(C(N)=O)C1.
What is the InChIKey of (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The InChIKey is BWOXIJDPTNETMF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-19(9-10-23-14-6-4-13(17)5-7-14)15(21)12-3-2-8-20(11-12)16(18)22/h4-7,12H,2-3,8-11H2,1H3,(H2,18,22)/t12-/m0/s1.
What are the key properties of (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 31793508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).