1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide

C16H25F2N3O — CID 125163317

IUPAC1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide
SMILESCCN1CCC[C@@H](CN(C)C(=O)c2ccc(C)n2C(F)F)C1
InChIInChI=1S/C16H25F2N3O/c1-4-20-9-5-6-13(11-20)10-19(3)15(22)14-8-7-12(2)21(14)16(17)18/h7-8,13,16H,4-6,9-11H2,1-3H3/t13-/m0/s1
InChIKeySKKVYTQFCRUWFV-ZDUSSCGKSA-N
MW313.39 g/mol
LogP3.00
Rot. Bonds5

About 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide

1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide (PubChem CID 125163317) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide
PubChem CID125163317
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide
SMILESCCN1CCC[C@@H](CN(C)C(=O)c2ccc(C)n2C(F)F)C1
InChIInChI=1S/C16H25F2N3O/c1-4-20-9-5-6-13(11-20)10-19(3)15(22)14-8-7-12(2)21(14)16(17)18/h7-8,13,16H,4-6,9-11H2,1-3H3/t13-/m0/s1
InChIKeySKKVYTQFCRUWFV-ZDUSSCGKSA-N
XLogP3.00
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethyl)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide
CID 118770128
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 95208683
1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
CID 118779571
3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 137151134
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide
CID 126439698
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
1-ethyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-2-oxopyridine-4-carboxamide
CID 97284046
1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-propylurea
CID 25448302
4-chloro-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 97270147
N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 97284932
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 94824651
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide (CID 125163317) is 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide is CCN1CCC[C@@H](CN(C)C(=O)c2ccc(C)n2C(F)F)C1.
What is the InChIKey of 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide?
The InChIKey is SKKVYTQFCRUWFV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25F2N3O/c1-4-20-9-5-6-13(11-20)10-19(3)15(22)14-8-7-12(2)21(14)16(17)18/h7-8,13,16H,4-6,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide?
1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 125163317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).