N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C24H26FN3O2S — CID 55962947

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c(C)n1Cc1cccs1
InChIInChI=1S/C24H26FN3O2S/c1-16-14-21(17(2)28(16)15-19-6-5-13-31-19)23(29)26-18-9-11-27(12-10-18)24(30)20-7-3-4-8-22(20)25/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,26,29)
InChIKeyDPVYLDZYFNQECQ-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.39
Rot. Bonds5

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 55962947) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID55962947
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c(C)n1Cc1cccs1
InChIInChI=1S/C24H26FN3O2S/c1-16-14-21(17(2)28(16)15-19-6-5-13-31-19)23(29)26-18-9-11-27(12-10-18)24(30)20-7-3-4-8-22(20)25/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,26,29)
InChIKeyDPVYLDZYFNQECQ-UHFFFAOYSA-N
XLogP4.39
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide with MolForge

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Related Compounds

1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea
CID 86998872
N-(2-cyclopentylethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55564357
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
CID 78806087
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 58055557
N-(1-adamantyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55381187
N-(3-hydroxybutyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 111428991
2,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 142228295
1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 78809512

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 55962947) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c(C)n1Cc1cccs1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is DPVYLDZYFNQECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-16-14-21(17(2)28(16)15-19-6-5-13-31-19)23(29)26-18-9-11-27(12-10-18)24(30)20-7-3-4-8-22(20)25/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 55962947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).