N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide

C16H18ClFN2O2 — CID 46461988

IUPACN-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2Cl)CC1)C1CC1
InChIInChI=1S/C16H18ClFN2O2/c17-14-9-11(18)3-4-13(14)16(22)20-7-5-12(6-8-20)19-15(21)10-1-2-10/h3-4,9-10,12H,1-2,5-8H2,(H,19,21)
InChIKeyHTWKIYPWUZLGSL-UHFFFAOYSA-N
MW324.78 g/mol
LogP2.61
Rot. Bonds3

About N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 46461988) has the molecular formula C16H18ClFN2O2 and a molecular weight of 324.78 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID46461988
Molecular FormulaC16H18ClFN2O2
Molecular Weight324.78 g/mol
Exact Mass324.10
IUPAC NameN-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2Cl)CC1)C1CC1
InChIInChI=1S/C16H18ClFN2O2/c17-14-9-11(18)3-4-13(14)16(22)20-7-5-12(6-8-20)19-15(21)10-1-2-10/h3-4,9-10,12H,1-2,5-8H2,(H,19,21)
InChIKeyHTWKIYPWUZLGSL-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 73168116
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide (CID 46461988) is N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)c2ccc(F)cc2Cl)CC1)C1CC1.
What is the InChIKey of N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is HTWKIYPWUZLGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O2/c17-14-9-11(18)3-4-13(14)16(22)20-7-5-12(6-8-20)19-15(21)10-1-2-10/h3-4,9-10,12H,1-2,5-8H2,(H,19,21).
What are the key properties of N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 324.78 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46461988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).