[1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone

C19H20FNOS — CID 71786901

IUPAC[1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2cccs2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FNOS/c20-16-5-3-15(4-6-16)19(9-10-19)18(22)21-11-7-14(8-12-21)17-2-1-13-23-17/h1-6,13-14H,7-12H2
InChIKeyNECGTYPRMDXZPK-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.32
Rot. Bonds3

About [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone

[1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone (PubChem CID 71786901) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
PubChem CID71786901
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2cccs2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FNOS/c20-16-5-3-15(4-6-16)19(9-10-19)18(22)21-11-7-14(8-12-21)17-2-1-13-23-17/h1-6,13-14H,7-12H2
InChIKeyNECGTYPRMDXZPK-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 24685808
N-(4-fluorobenzyl)-N-methyl-3-phenyl-thiophene-2-carboxamide
CID 24819439
3-Phenyl-1-(2-thienylcarbonyl)piperidine
CID 2893479
(4R,5R)-5-(Fluoro-thiophen-2-yl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44398130
1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 44448393
2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
CID 44563525
1-Pyrrolidin-1-yl-3-(4-thiophen-3-ylphenyl)propan-1-one
CID 155513706
4-Thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 89525771
1-(4-Benzylpiperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 669874
2-(4-fluorophenyl)-N-({1-[(thiophen-2-yl)methyl]piperidin-4-yl}methyl)acetamide
CID 16896224

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone (CID 71786901) is [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone is O=C(N1CCC(c2cccs2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The InChIKey is NECGTYPRMDXZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNOS/c20-16-5-3-15(4-6-16)19(9-10-19)18(22)21-11-7-14(8-12-21)17-2-1-13-23-17/h1-6,13-14H,7-12H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone?
[1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone has a molecular weight of 329.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-(4-thiophen-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71786901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).