1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide

C16H25F2N3O — CID 118770128

IUPAC1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide
SMILESCCN1CCC(CCNC(=O)c2ccc(C)n2C(F)F)CC1
InChIInChI=1S/C16H25F2N3O/c1-3-20-10-7-13(8-11-20)6-9-19-15(22)14-5-4-12(2)21(14)16(17)18/h4-5,13,16H,3,6-11H2,1-2H3,(H,19,22)
InChIKeyNRRYLDMJYOUQBO-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.04
Rot. Bonds6

About 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide

1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide (PubChem CID 118770128) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide
PubChem CID118770128
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide
SMILESCCN1CCC(CCNC(=O)c2ccc(C)n2C(F)F)CC1
InChIInChI=1S/C16H25F2N3O/c1-3-20-10-7-13(8-11-20)6-9-19-15(22)14-5-4-12(2)21(14)16(17)18/h4-5,13,16H,3,6-11H2,1-2H3,(H,19,22)
InChIKeyNRRYLDMJYOUQBO-UHFFFAOYSA-N
XLogP3.04
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
CID 118779571
3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119885053
2-(4-aminophenyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]acetamide
CID 119885020
2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119885013
N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
CID 87054451
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(methylamino)acetamide
CID 120704735
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[(2-fluorophenyl)methyl]guanidine
CID 111783595
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]urea
CID 121497179
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111508190
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119885076

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide (CID 118770128) is 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide is CCN1CCC(CCNC(=O)c2ccc(C)n2C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide?
The InChIKey is NRRYLDMJYOUQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O/c1-3-20-10-7-13(8-11-20)6-9-19-15(22)14-5-4-12(2)21(14)16(17)18/h4-5,13,16H,3,6-11H2,1-2H3,(H,19,22).
What are the key properties of 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide?
1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide is sourced from PubChem (CID 118770128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).