4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide

C18H21FN2OS — CID 119444644

IUPAC4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)C2CCNCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-12-16(13-3-5-14(19)6-4-13)11-17(23-12)18(22)21(2)15-7-9-20-10-8-15/h3-6,11,15,20H,7-10H2,1-2H3
InChIKeyKODAPNKSNZNSCF-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.69
Rot. Bonds3

About 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide

4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 119444644) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
PubChem CID119444644
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)C2CCNCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-12-16(13-3-5-14(19)6-4-13)11-17(23-12)18(22)21(2)15-7-9-20-10-8-15/h3-6,11,15,20H,7-10H2,1-2H3
InChIKeyKODAPNKSNZNSCF-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454424
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
CID 119403968
1-(4-fluorophenyl)-N,3-dimethyl-N-piperidin-4-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119441142
3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119441233
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 43602032
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119442269
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676
4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide
CID 86778846

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide (CID 119444644) is 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide is Cc1sc(C(=O)N(C)C2CCNCC2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is KODAPNKSNZNSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-12-16(13-3-5-14(19)6-4-13)11-17(23-12)18(22)21(2)15-7-9-20-10-8-15/h3-6,11,15,20H,7-10H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide?
4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N,5-dimethyl-N-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 119444644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).