1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide

C14H22F2N4O — CID 114610245

IUPAC1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)c1cccn1CC(F)F
InChIInChI=1S/C14H22F2N4O/c1-18(9-10-19-7-4-17-5-8-19)14(21)12-3-2-6-20(12)11-13(15)16/h2-3,6,13,17H,4-5,7-11H2,1H3
InChIKeyXEVQPWYUCGPWSG-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.73
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide (PubChem CID 114610245) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide
PubChem CID114610245
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)c1cccn1CC(F)F
InChIInChI=1S/C14H22F2N4O/c1-18(9-10-19-7-4-17-5-8-19)14(21)12-3-2-6-20(12)11-13(15)16/h2-3,6,13,17H,4-5,7-11H2,1H3
InChIKeyXEVQPWYUCGPWSG-UHFFFAOYSA-N
XLogP0.73
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]-methylamino]butanoic acid
CID 114608775
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
1-(2,2-difluoroethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
CID 114609911
2,4-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265416
4-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 114608959

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide (CID 114610245) is 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide is CN(CCN1CCNCC1)C(=O)c1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide?
The InChIKey is XEVQPWYUCGPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O/c1-18(9-10-19-7-4-17-5-8-19)14(21)12-3-2-6-20(12)11-13(15)16/h2-3,6,13,17H,4-5,7-11H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-methyl-N-(2-piperazin-1-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114610245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).