1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine

C20H28F4N4 — CID 176708365

IUPAC1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine
SMILESC=C(NCc1[nH]c(C)c(/C=C(\C)C(F)(F)F)c1F)N(C1CC1)C1CCCNC1
InChIInChI=1S/C20H28F4N4/c1-12(20(22,23)24)9-17-13(2)27-18(19(17)21)11-26-14(3)28(15-6-7-15)16-5-4-8-25-10-16/h9,15-16,25-27H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyQOPISCZNBAJDQB-FMIVXFBMSA-N
MW400.46 g/mol
LogP4.21
Rot. Bonds7

About 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine

1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine (PubChem CID 176708365) has the molecular formula C20H28F4N4 and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine
PubChem CID176708365
Molecular FormulaC20H28F4N4
Molecular Weight400.46 g/mol
Exact Mass400.23
IUPAC Name1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine
SMILESC=C(NCc1[nH]c(C)c(/C=C(\C)C(F)(F)F)c1F)N(C1CC1)C1CCCNC1
InChIInChI=1S/C20H28F4N4/c1-12(20(22,23)24)9-17-13(2)27-18(19(17)21)11-26-14(3)28(15-6-7-15)16-5-4-8-25-10-16/h9,15-16,25-27H,3-8,10-11H2,1-2H3/b12-9+
InChIKeyQOPISCZNBAJDQB-FMIVXFBMSA-N
XLogP4.21
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206366
N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115514896
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-(azetidin-3-yl)-N-cyclobutylacetamide
CID 164644849
N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 60806038
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 119742625
N-methyl-N-(2-methylcyclopentyl)piperidin-3-amine
CID 65044833
3-[tert-butylsulfamoyl(ethyl)amino]piperidine
CID 114805078
N-methyl-N-piperidin-3-ylprop-2-enamide
CID 63643523
N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 178118916
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
CID 63636373

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine?
The IUPAC name of 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine (CID 176708365) is 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine.
What is the SMILES notation for 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine?
The canonical SMILES for 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine is C=C(NCc1[nH]c(C)c(/C=C(\C)C(F)(F)F)c1F)N(C1CC1)C1CCCNC1.
What is the InChIKey of 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine?
The InChIKey is QOPISCZNBAJDQB-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H28F4N4/c1-12(20(22,23)24)9-17-13(2)27-18(19(17)21)11-26-14(3)28(15-6-7-15)16-5-4-8-25-10-16/h9,15-16,25-27H,3-8,10-11H2,1-2H3/b12-9+.
What are the key properties of 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine?
1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine has a molecular weight of 400.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopropyl-1-N-[[3-fluoro-5-methyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1-N'-piperidin-3-ylethene-1,1-diamine is sourced from PubChem (CID 176708365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).