4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid

C17H22N4O2 — CID 175869004

IUPAC4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid
SMILESC[C@@H]1CNCc2c3ccc(C4CCN(C(=O)O)CC4)cc3nn21
InChIInChI=1S/C17H22N4O2/c1-11-9-18-10-16-14-3-2-13(8-15(14)19-21(11)16)12-4-6-20(7-5-12)17(22)23/h2-3,8,11-12,18H,4-7,9-10H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyDOYZRXSYHCGKMJ-LLVKDONJSA-N
MW314.39 g/mol
LogP2.56
Rot. Bonds1

About 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid

4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid (PubChem CID 175869004) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid
PubChem CID175869004
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid
SMILESC[C@@H]1CNCc2c3ccc(C4CCN(C(=O)O)CC4)cc3nn21
InChIInChI=1S/C17H22N4O2/c1-11-9-18-10-16-14-3-2-13(8-15(14)19-21(11)16)12-4-6-20(7-5-12)17(22)23/h2-3,8,11-12,18H,4-7,9-10H2,1H3,(H,22,23)/t11-/m1/s1
InChIKeyDOYZRXSYHCGKMJ-LLVKDONJSA-N
XLogP2.56
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

4-(3-iodo-2H-indazol-5-yl)piperidine-1-carboxylic acid
CID 67981320
4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
CID 166759957
4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
CID 66622737
4-[3-(2,7-dimethylindazol-5-yl)-1,2,4-benzotriazin-7-yl]piperidine-1-carboxylic acid
CID 146585485
4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid
CID 146575356
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
CID 118628389
4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575365
4-(5-amino-3-pyridinyl)piperidine-1-carboxylic acid
CID 69115418
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid
CID 150860508
4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575370

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid (CID 175869004) is 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid is C[C@@H]1CNCc2c3ccc(C4CCN(C(=O)O)CC4)cc3nn21.
What is the InChIKey of 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid?
The InChIKey is DOYZRXSYHCGKMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-9-18-10-16-14-3-2-13(8-15(14)19-21(11)16)12-4-6-20(7-5-12)17(22)23/h2-3,8,11-12,18H,4-7,9-10H2,1H3,(H,22,23)/t11-/m1/s1.
What are the key properties of 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid?
4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-b]indazol-8-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175869004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).