N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide

C14H21F2N3O2 — CID 107479360

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CCNCC1)N(CCO)CC(F)F
InChIInChI=1S/C14H21F2N3O2/c15-13(16)10-18(8-9-20)14(21)12-2-1-7-19(12)11-3-5-17-6-4-11/h1-2,7,11,13,17,20H,3-6,8-10H2
InChIKeyTVKZQPFJYWXLCM-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.11
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 107479360) has the molecular formula C14H21F2N3O2 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID107479360
Molecular FormulaC14H21F2N3O2
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CCNCC1)N(CCO)CC(F)F
InChIInChI=1S/C14H21F2N3O2/c15-13(16)10-18(8-9-20)14(21)12-2-1-7-19(12)11-3-5-17-6-4-11/h1-2,7,11,13,17,20H,3-6,8-10H2
InChIKeyTVKZQPFJYWXLCM-UHFFFAOYSA-N
XLogP1.11
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 107483136
N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62717118
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
N-(2-amino-2-oxoethyl)-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103101886
1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 113356717
N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 63965050
3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715589
N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 62715231
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715240
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716452
1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 131932038

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide (CID 107479360) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide is O=C(c1cccn1C1CCNCC1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is TVKZQPFJYWXLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O2/c15-13(16)10-18(8-9-20)14(21)12-2-1-7-19(12)11-3-5-17-6-4-11/h1-2,7,11,13,17,20H,3-6,8-10H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 107479360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).