[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

C18H27F2N3O — CID 118772149

IUPAC[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(CCN3CCCC3)CC2)n1C(F)F
InChIInChI=1S/C18H27F2N3O/c1-14-4-5-16(23(14)18(19)20)17(24)22-12-7-15(8-13-22)6-11-21-9-2-3-10-21/h4-5,15,18H,2-3,6-13H2,1H3
InChIKeyMYBRMDBDJNUCNN-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.53
Rot. Bonds5

About [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 118772149) has the molecular formula C18H27F2N3O and a molecular weight of 339.43 g/mol. Its IUPAC name is [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID118772149
Molecular FormulaC18H27F2N3O
Molecular Weight339.43 g/mol
Exact Mass339.21
IUPAC Name[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(CCN3CCCC3)CC2)n1C(F)F
InChIInChI=1S/C18H27F2N3O/c1-14-4-5-16(23(14)18(19)20)17(24)22-12-7-15(8-13-22)6-11-21-9-2-3-10-21/h4-5,15,18H,2-3,6-13H2,1H3
InChIKeyMYBRMDBDJNUCNN-UHFFFAOYSA-N
XLogP3.53
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-Isopropyl-1,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40076165
7-Cyclohexyl-1-(pyridine-2-carbonyl)-1,7-diazaspiro[4.4]nonan-6-one
CID 24758977
[2-(2-Methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone
CID 3235167
2-methyl-N-(2-methylpropyl)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 49792382
(1-Methylpyrrol-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2532675
(1-methylpyrrol-2-yl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233085
[(5S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 3233152
[5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 53160804
N,N-Diethyl-5-(4-fluorobenzyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-C]pyridine-2-carboxamide
CID 53160805
N-Benzyl-5-[(3-fluorophenyl)methyl]-N,1-dimethyl-1H,4H,5H,6H,7H-pyrrolo[3,2-C]pyridine-2-carboxamide
CID 53160825
5-(3-fluorobenzyl)-1-methyl-N~2~-[2-(1-pyrrolidinyl)ethyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160841
N,N,N',N'-tetrakis(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 4155509

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 118772149) is [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(CCN3CCCC3)CC2)n1C(F)F.
What is the InChIKey of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is MYBRMDBDJNUCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O/c1-14-4-5-16(23(14)18(19)20)17(24)22-12-7-15(8-13-22)6-11-21-9-2-3-10-21/h4-5,15,18H,2-3,6-13H2,1H3.
What are the key properties of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 339.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118772149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).