1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide

C17H22ClFN2O3 — CID 134003439

IUPAC1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H22ClFN2O3/c1-2-7-20-17(23)12-5-8-21(9-6-12)16(22)11-24-13-3-4-15(19)14(18)10-13/h3-4,10,12H,2,5-9,11H2,1H3,(H,20,23)
InChIKeySGFYFFMTSKMCPC-UHFFFAOYSA-N
MW356.83 g/mol
LogP2.62
Rot. Bonds6

About 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide

1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide (PubChem CID 134003439) has the molecular formula C17H22ClFN2O3 and a molecular weight of 356.83 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide
PubChem CID134003439
Molecular FormulaC17H22ClFN2O3
Molecular Weight356.83 g/mol
Exact Mass356.13
IUPAC Name1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H22ClFN2O3/c1-2-7-20-17(23)12-5-8-21(9-6-12)16(22)11-24-13-3-4-15(19)14(18)10-13/h3-4,10,12H,2,5-9,11H2,1H3,(H,20,23)
InChIKeySGFYFFMTSKMCPC-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chloro-4-fluorophenoxy)ethanone;hydrochloride
CID 119518644
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
(4R)-4-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one
CID 129487961
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403003
N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 55718257
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
1-[2-(3-chloro-4-fluorophenoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016057
1-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 42693238
2-(3-chloro-4-fluorophenoxy)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416174
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide (CID 134003439) is 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is SGFYFFMTSKMCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O3/c1-2-7-20-17(23)12-5-8-21(9-6-12)16(22)11-24-13-3-4-15(19)14(18)10-13/h3-4,10,12H,2,5-9,11H2,1H3,(H,20,23).
What are the key properties of 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide?
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 356.83 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 134003439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).