(2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C19H22F3N3O2 — CID 142065834

IUPAC(2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCN1CCN(Cc2ccc(-c3ccccc3)o2)C[C@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C19H22F3N3O2/c1-24-9-10-25(12-16(24)18(26)23-13-19(20,21)22)11-15-7-8-17(27-15)14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyCWANCBJHNXWHGV-INIZCTEOSA-N
MW381.40 g/mol
LogP2.74
Rot. Bonds5

About (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

(2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 142065834) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID142065834
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name(2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCN1CCN(Cc2ccc(-c3ccccc3)o2)C[C@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C19H22F3N3O2/c1-24-9-10-25(12-16(24)18(26)23-13-19(20,21)22)11-15-7-8-17(27-15)14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyCWANCBJHNXWHGV-INIZCTEOSA-N
XLogP2.74
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide
CID 142065736
(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 59108578
(2S)-1-[(2S,4S)-2-hydroxy-5-[[(4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-(pyridin-3-ylmethyl)pentyl]-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 3006545
(2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(3S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxopentyl]-4-[(5-pyridin-4-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 512910
(2S)-1-[(4R)-5-[(3aS)-2,2-dimethyl-4,9b-dihydro-3aH-chromeno[4,3-d][1,3]oxazol-1-yl]-2-hydroxy-5-oxo-4-[(4-pyridin-3-ylphenyl)methyl]pentyl]-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 142189563
(2S)-1-[(2S,4R)-2-benzyl-4-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxopentyl]-4-[[5-(2-ethyl-4-pyridinyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 20598969
1-[5-oxo-5-(pyridin-3-ylmethylamino)pentyl]-4-[(5-thiophen-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 70084169
N-(1-benzylpyrrolidin-3-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 18156265
N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide
CID 22762680
N-[[5-[[5-(4-methylphenyl)furan-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70767352
2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 45190547
1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63032039

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 142065834) is (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is CN1CCN(Cc2ccc(-c3ccccc3)o2)C[C@H]1C(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is CWANCBJHNXWHGV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-24-9-10-25(12-16(24)18(26)23-13-19(20,21)22)11-15-7-8-17(27-15)14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
(2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 142065834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).