1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide

C15H21F2N3O2 — CID 118761223

IUPAC1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(N)=O)CCCN(C(=O)c2ccc(C)n2C(F)F)C1
InChIInChI=1S/C15H21F2N3O2/c1-3-15(13(18)22)7-4-8-19(9-15)12(21)11-6-5-10(2)20(11)14(16)17/h5-6,14H,3-4,7-9H2,1-2H3,(H2,18,22)
InChIKeyXJKFXHNICRDHDY-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.31
Rot. Bonds4

About 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide

1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide (PubChem CID 118761223) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide
PubChem CID118761223
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(N)=O)CCCN(C(=O)c2ccc(C)n2C(F)F)C1
InChIInChI=1S/C15H21F2N3O2/c1-3-15(13(18)22)7-4-8-19(9-15)12(21)11-6-5-10(2)20(11)14(16)17/h5-6,14H,3-4,7-9H2,1-2H3,(H2,18,22)
InChIKeyXJKFXHNICRDHDY-UHFFFAOYSA-N
XLogP2.31
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide (CID 118761223) is 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide is CCC1(C(N)=O)CCCN(C(=O)c2ccc(C)n2C(F)F)C1.
What is the InChIKey of 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide?
The InChIKey is XJKFXHNICRDHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-3-15(13(18)22)7-4-8-19(9-15)12(21)11-6-5-10(2)20(11)14(16)17/h5-6,14H,3-4,7-9H2,1-2H3,(H2,18,22).
What are the key properties of 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide?
1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 118761223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).