N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C16H21F3N4O2 — CID 167804104

IUPACN-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC[C@H]1CCCC(=O)N1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)15-11-5-1-2-6-12(11)23(22-15)9-14(25)20-8-10-4-3-7-13(24)21-10/h10H,1-9H2,(H,20,25)(H,21,24)/t10-/m1/s1
InChIKeyHCSXMZKBRPBJBV-SNVBAGLBSA-N
MW358.36 g/mol
LogP1.57
Rot. Bonds4

About N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 167804104) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID167804104
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC NameN-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC[C@H]1CCCC(=O)N1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)15-11-5-1-2-6-12(11)23(22-15)9-14(25)20-8-10-4-3-7-13(24)21-10/h10H,1-9H2,(H,20,25)(H,21,24)/t10-/m1/s1
InChIKeyHCSXMZKBRPBJBV-SNVBAGLBSA-N
XLogP1.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 167804104) is N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC[C@H]1CCCC(=O)N1.
What is the InChIKey of N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is HCSXMZKBRPBJBV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c17-16(18,19)15-11-5-1-2-6-12(11)23(22-15)9-14(25)20-8-10-4-3-7-13(24)21-10/h10H,1-9H2,(H,20,25)(H,21,24)/t10-/m1/s1.
What are the key properties of N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 358.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-6-oxopiperidin-2-yl]methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 167804104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).