[3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone

C24H25FN2OS — CID 134273313

IUPAC[3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCCCc1cc(-c2cc(-c3ccc(C(=O)N4CCCCC4)cc3F)cs2)ccn1
InChIInChI=1S/C24H25FN2OS/c1-2-6-20-13-17(9-10-26-20)23-15-19(16-29-23)21-8-7-18(14-22(21)25)24(28)27-11-4-3-5-12-27/h7-10,13-16H,2-6,11-12H2,1H3
InChIKeyQTIDTUJTBZRYKD-UHFFFAOYSA-N
MW408.54 g/mol
LogP6.19
Rot. Bonds5

About [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone

[3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 134273313) has the molecular formula C24H25FN2OS and a molecular weight of 408.54 g/mol. Its IUPAC name is [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID134273313
Molecular FormulaC24H25FN2OS
Molecular Weight408.54 g/mol
Exact Mass408.17
IUPAC Name[3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCCCc1cc(-c2cc(-c3ccc(C(=O)N4CCCCC4)cc3F)cs2)ccn1
InChIInChI=1S/C24H25FN2OS/c1-2-6-20-13-17(9-10-26-20)23-15-19(16-29-23)21-8-7-18(14-22(21)25)24(28)27-11-4-3-5-12-27/h7-10,13-16H,2-6,11-12H2,1H3
InChIKeyQTIDTUJTBZRYKD-UHFFFAOYSA-N
XLogP6.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
CID 134273266
[4-[5-[2-[butyl(propyl)amino]pyrimidin-4-yl]thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
CID 134273246
[2-ethynyl-4-[5-[2-(2-methylpropyl)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
CID 134273255
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone
CID 134273167
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
[4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
CID 134273296
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
[(3R)-3-aminopiperidin-1-yl]-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone
CID 140844470
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 134273160

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone (CID 134273313) is [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone is CCCc1cc(-c2cc(-c3ccc(C(=O)N4CCCCC4)cc3F)cs2)ccn1.
What is the InChIKey of [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is QTIDTUJTBZRYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2OS/c1-2-6-20-13-17(9-10-26-20)23-15-19(16-29-23)21-8-7-18(14-22(21)25)24(28)27-11-4-3-5-12-27/h7-10,13-16H,2-6,11-12H2,1H3.
What are the key properties of [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone?
[3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 408.54 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134273313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).