[4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C17H18FNOS — CID 129316270

IUPAC[4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H18FNOS/c1-12-2-7-16(21-12)17(20)19-10-8-14(9-11-19)13-3-5-15(18)6-4-13/h2-7,14H,8-11H2,1H3
InChIKeyCJYRVPAXVFCKOS-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.22
Rot. Bonds2

About [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 129316270) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID129316270
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name[4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H18FNOS/c1-12-2-7-16(21-12)17(20)19-10-8-14(9-11-19)13-3-5-15(18)6-4-13/h2-7,14H,8-11H2,1H3
InChIKeyCJYRVPAXVFCKOS-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene derivative, 3c
CID 25023797
1-(5-{[Benzyl(methyl)amino]methyl}thiophen-2-yl)-2,2,2-trifluoroethan-1-one
CID 25023811
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-(2-thienyl)methanone
CID 489822
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 697434

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 129316270) is [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is CJYRVPAXVFCKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-12-2-7-16(21-12)17(20)19-10-8-14(9-11-19)13-3-5-15(18)6-4-13/h2-7,14H,8-11H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 303.40 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 129316270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).