1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide

C16H25F2N3O — CID 118779571

IUPAC1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
SMILESCCCN1CCC(CNC(=O)c2ccc(C)n2C(F)F)CC1
InChIInChI=1S/C16H25F2N3O/c1-3-8-20-9-6-13(7-10-20)11-19-15(22)14-5-4-12(2)21(14)16(17)18/h4-5,13,16H,3,6-11H2,1-2H3,(H,19,22)
InChIKeyCIQNTDUMHYAIRL-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.04
Rot. Bonds6

About 1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide

1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide (PubChem CID 118779571) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
PubChem CID118779571
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
SMILESCCCN1CCC(CNC(=O)c2ccc(C)n2C(F)F)CC1
InChIInChI=1S/C16H25F2N3O/c1-3-8-20-9-6-13(7-10-20)11-19-15(22)14-5-4-12(2)21(14)16(17)18/h4-5,13,16H,3,6-11H2,1-2H3,(H,19,22)
InChIKeyCIQNTDUMHYAIRL-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)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-5-methylpyrrole-2-carboxamide
CID 118770128
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 56787262
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
4-methoxy-1-methyl-N-[(1-propylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 46964195
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 130216559
3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 113241315
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide (CID 118779571) is 1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide is CCCN1CCC(CNC(=O)c2ccc(C)n2C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is CIQNTDUMHYAIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O/c1-3-8-20-9-6-13(7-10-20)11-19-15(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)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide?
1-(difluoromethyl)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-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)-5-methyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 118779571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).