5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide

C21H25FN2OS — CID 56569475

IUPAC5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C21H25FN2OS/c1-15(2)9-12-24-13-10-18(11-14-24)23-21(25)20-8-7-19(26-20)16-3-5-17(22)6-4-16/h3-9,18H,10-14H2,1-2H3,(H,23,25)
InChIKeyDZCXFACMVRXOOT-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.71
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide

5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 56569475) has the molecular formula C21H25FN2OS and a molecular weight of 372.51 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID56569475
Molecular FormulaC21H25FN2OS
Molecular Weight372.51 g/mol
Exact Mass372.17
IUPAC Name5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C21H25FN2OS/c1-15(2)9-12-24-13-10-18(11-14-24)23-21(25)20-8-7-19(26-20)16-3-5-17(22)6-4-16/h3-9,18H,10-14H2,1-2H3,(H,23,25)
InChIKeyDZCXFACMVRXOOT-UHFFFAOYSA-N
XLogP4.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide
CID 56803513
5-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]thiophene-2-carboxamide
CID 56552143
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 56568813
1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569031
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 117079965
2-bromo-5-fluoro-N-[3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 56568992
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577
N-[2-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119600652
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone
CID 119621700
5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46467777

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide (CID 56569475) is 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide is CC(C)=CCN1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is DZCXFACMVRXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2OS/c1-15(2)9-12-24-13-10-18(11-14-24)23-21(25)20-8-7-19(26-20)16-3-5-17(22)6-4-16/h3-9,18H,10-14H2,1-2H3,(H,23,25).
What are the key properties of 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56569475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).