3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H26ClFN2O — CID 25383239

IUPAC3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C19H26ClFN2O/c20-17-4-3-5-18(21)16(17)14-22-12-8-15(9-13-22)6-7-19(24)23-10-1-2-11-23/h3-5,15H,1-2,6-14H2
InChIKeyKZOOSVBAONLVJS-UHFFFAOYSA-N
MW352.88 g/mol
LogP4.09
Rot. Bonds5

About 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 25383239) has the molecular formula C19H26ClFN2O and a molecular weight of 352.88 g/mol. Its IUPAC name is 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID25383239
Molecular FormulaC19H26ClFN2O
Molecular Weight352.88 g/mol
Exact Mass352.17
IUPAC Name3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C19H26ClFN2O/c20-17-4-3-5-18(21)16(17)14-22-12-8-15(9-13-22)6-7-19(24)23-10-1-2-11-23/h3-5,15H,1-2,6-14H2
InChIKeyKZOOSVBAONLVJS-UHFFFAOYSA-N
XLogP4.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

F16357
CID 19323337
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N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
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2-(2-Chloro-6-fluorophenyl)-1-pyrrolidin-1-ylethanone
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N~4~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3242928
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
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CID 16190776
N-(2-chlorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide
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(3R,5S)-5-(2-chlorophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 25383239) is 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCC1.
What is the InChIKey of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KZOOSVBAONLVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O/c20-17-4-3-5-18(21)16(17)14-22-12-8-15(9-13-22)6-7-19(24)23-10-1-2-11-23/h3-5,15H,1-2,6-14H2.
What are the key properties of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 352.88 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 25383239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).