1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

C22H24FN3O3 — CID 20883654

IUPAC1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCn1c(C(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)cc2occc21
InChIInChI=1S/C22H24FN3O3/c1-2-26-18-9-12-29-20(18)13-19(26)22(28)25-10-7-15(8-11-25)21(27)24-14-16-5-3-4-6-17(16)23/h3-6,9,12-13,15H,2,7-8,10-11,14H2,1H3,(H,24,27)
InChIKeyMYSXCPMVUOKXMF-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 20883654) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID20883654
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCn1c(C(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)cc2occc21
InChIInChI=1S/C22H24FN3O3/c1-2-26-18-9-12-29-20(18)13-19(26)22(28)25-10-7-15(8-11-25)21(27)24-14-16-5-3-4-6-17(16)23/h3-6,9,12-13,15H,2,7-8,10-11,14H2,1H3,(H,24,27)
InChIKeyMYSXCPMVUOKXMF-UHFFFAOYSA-N
XLogP3.56
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113004169
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
N-[(5-bromo-2-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55593776
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914
1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7260864
(4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone
CID 42792619
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 20883654) is 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is CCn1c(C(=O)N2CCC(C(=O)NCc3ccccc3F)CC2)cc2occc21.
What is the InChIKey of 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MYSXCPMVUOKXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-2-26-18-9-12-29-20(18)13-19(26)22(28)25-10-7-15(8-11-25)21(27)24-14-16-5-3-4-6-17(16)23/h3-6,9,12-13,15H,2,7-8,10-11,14H2,1H3,(H,24,27).
What are the key properties of 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylfuro[3,2-b]pyrrole-5-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20883654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).