4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C17H25F2N3O2 — CID 49072496

IUPAC4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCN(CC(F)F)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H25F2N3O2/c1-4-13-15(11(3)23)10(2)20-16(13)17(24)21-12-5-7-22(8-6-12)9-14(18)19/h12,14,20H,4-9H2,1-3H3,(H,21,24)
InChIKeyNGHILZAUSFXTHP-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.55
Rot. Bonds6

About 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 49072496) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID49072496
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCN(CC(F)F)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H25F2N3O2/c1-4-13-15(11(3)23)10(2)20-16(13)17(24)21-12-5-7-22(8-6-12)9-14(18)19/h12,14,20H,4-9H2,1-3H3,(H,21,24)
InChIKeyNGHILZAUSFXTHP-UHFFFAOYSA-N
XLogP2.55
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
N,3-dimethyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrole-1-carboxamide
CID 153617028
4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3241255
1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 3570670
4-acetyl-3-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 20858607
4-[2-(diethylamino)-2-oxo-acetyl]-N-(3,4-difluorophenyl)-1,3,5-trimethyl-pyrrole-2-carboxamide
CID 130408595
N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxo-acetyl]pyrrole-2-carboxamide
CID 130408700
4-Acetyl-3-Ethyl-N,5-Dimethyl-1h-Pyrrole-2-Carboxamide
CID 47265390
4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 867003
4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
CID 2091172
Sdccgsbi-0661720.P001
CID 2430108
4-acetyl-N-(3-ethoxypropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3237458

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 49072496) is 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC2CCN(CC(F)F)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is NGHILZAUSFXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c1-4-13-15(11(3)23)10(2)20-16(13)17(24)21-12-5-7-22(8-6-12)9-14(18)19/h12,14,20H,4-9H2,1-3H3,(H,21,24).
What are the key properties of 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 49072496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).