[1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone

C18H21FN2O — CID 53147821

IUPAC[1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCCn1cc(-c2ccc(F)cc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C18H21FN2O/c1-2-20-13-15(14-6-8-16(19)9-7-14)12-17(20)18(22)21-10-4-3-5-11-21/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyWSTXVNFPOKKIEM-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.94
Rot. Bonds3

About [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone

[1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone (PubChem CID 53147821) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone
PubChem CID53147821
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name[1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCCn1cc(-c2ccc(F)cc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C18H21FN2O/c1-2-20-13-15(14-6-8-16(19)9-7-14)12-17(20)18(22)21-10-4-3-5-11-21/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyWSTXVNFPOKKIEM-UHFFFAOYSA-N
XLogP3.94
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-ethyl-4-(4-fluorophenyl)pyrrole-2-carboxylate
CID 117223216
[1-ethyl-4-(4-methoxyphenyl)pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 53147777
2-[4-(4-chloro-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 154769677
(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
[3-ethyl-2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-6-yl]-piperidin-1-ylmethanone
CID 175328414
(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
CID 71840944
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
CID 74249419
[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42755348
1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114044
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119415116
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone (CID 53147821) is [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone is CCn1cc(-c2ccc(F)cc2)cc1C(=O)N1CCCCC1.
What is the InChIKey of [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is WSTXVNFPOKKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-2-20-13-15(14-6-8-16(19)9-7-14)12-17(20)18(22)21-10-4-3-5-11-21/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone?
[1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 300.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(4-fluorophenyl)pyrrol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53147821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).