N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide

C16H20ClFN2O3 — CID 72934381

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H20ClFN2O3/c1-23-10-15(21)20-6-2-3-12(9-20)16(22)19-8-11-4-5-13(18)7-14(11)17/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,19,22)
InChIKeyKFECVFTXUCFJCU-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.98
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 72934381) has the molecular formula C16H20ClFN2O3 and a molecular weight of 342.80 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID72934381
Molecular FormulaC16H20ClFN2O3
Molecular Weight342.80 g/mol
Exact Mass342.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H20ClFN2O3/c1-23-10-15(21)20-6-2-3-12(9-20)16(22)19-8-11-4-5-13(18)7-14(11)17/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,19,22)
InChIKeyKFECVFTXUCFJCU-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N~4~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3242928
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 16190289
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylpropanoate
CID 2112567
4-benzyl-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxomorpholine-3-carboxamide
CID 25020189
US11077113, Example 8
CID 162533418
N~3~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,3-dicarboxamide
CID 3242826
N-(3-chlorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24790428
1-(4-chlorobenzyl)-N-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790809
1-(3-chloro-4-fluorobenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 49778766
N-({1-[(4-Chlorophenyl)methyl]-3-(dimethylamino)piperidin-4-YL}methyl)-2-methoxyacetamide
CID 91920949
N~3~-(2-chlorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,3-dicarboxamide
CID 3244350
N-(2-chloro-4-fluorobenzyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3244758

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 72934381) is N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is KFECVFTXUCFJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O3/c1-23-10-15(21)20-6-2-3-12(9-20)16(22)19-8-11-4-5-13(18)7-14(11)17/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,19,22).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 72934381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).