(2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid

C19H24F3N5O5 — CID 166260729

IUPAC(2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCN1C(=O)CC[C@H](C(=O)Nc2ncc(C)o2)[C@H]1c1cncn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O3.C2HF3O2/c1-4-7-22-14(23)6-5-12(15(22)13-9-18-10-21(13)3)16(24)20-17-19-8-11(2)25-17;3-2(4,5)1(6)7/h8-10,12,15H,4-7H2,1-3H3,(H,19,20,24);(H,6,7)/t12-,15-;/m0./s1
InChIKeyXTIZXUBGLQRQJS-NXCSSKFKSA-N
MW459.43 g/mol
LogP2.68
Rot. Bonds5

About (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid

(2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166260729) has the molecular formula C19H24F3N5O5 and a molecular weight of 459.43 g/mol. Its IUPAC name is (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166260729
Molecular FormulaC19H24F3N5O5
Molecular Weight459.43 g/mol
Exact Mass459.17
IUPAC Name(2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCN1C(=O)CC[C@H](C(=O)Nc2ncc(C)o2)[C@H]1c1cncn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O3.C2HF3O2/c1-4-7-22-14(23)6-5-12(15(22)13-9-18-10-21(13)3)16(24)20-17-19-8-11(2)25-17;3-2(4,5)1(6)7/h8-10,12,15H,4-7H2,1-3H3,(H,19,20,24);(H,6,7)/t12-,15-;/m0./s1
InChIKeyXTIZXUBGLQRQJS-NXCSSKFKSA-N
XLogP2.68
TPSA130.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide
CID 122360024
2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid
CID 104823678
N-(5-methyl-1,3-oxazol-2-yl)cyclobutanecarboxamide
CID 131203623
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 66117272
6-amino-7-(3-ethylimidazol-4-yl)-1-propylazepan-2-one
CID 66133666
N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-propylpyrazole-4-carboxamide
CID 128988847
tert-butyl (4S)-4-ethyl-2-(3-methylimidazol-4-yl)-5-oxooxolane-3-carboxylate;2,2,2-trifluoroacetic acid
CID 161289355
1-methyl-7-oxo-2-(3-propylimidazol-4-yl)azepane-3-carboxylic acid
CID 66131567
N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide
CID 154736245
trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 167847262
(2R,3S)-1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 8927363
1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 24645342

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 166260729) is (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid is CCCN1C(=O)CC[C@H](C(=O)Nc2ncc(C)o2)[C@H]1c1cncn1C.O=C(O)C(F)(F)F.
What is the InChIKey of (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XTIZXUBGLQRQJS-NXCSSKFKSA-N. The full InChI is InChI=1S/C17H23N5O3.C2HF3O2/c1-4-7-22-14(23)6-5-12(15(22)13-9-18-10-21(13)3)16(24)20-17-19-8-11(2)25-17;3-2(4,5)1(6)7/h8-10,12,15H,4-7H2,1-3H3,(H,19,20,24);(H,6,7)/t12-,15-;/m0./s1.
What are the key properties of (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
(2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 459.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3-methylimidazol-4-yl)-N-(5-methyl-1,3-oxazol-2-yl)-6-oxo-1-propylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166260729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).