(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

C17H23N3O2 — CID 100816548

IUPAC(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)[C@@H](C)Oc2nn(C)c3ccccc23)C1
InChIInChI=1S/C17H23N3O2/c1-12-7-6-10-20(11-12)17(21)13(2)22-16-14-8-4-5-9-15(14)19(3)18-16/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyZACLJXKWRADWBE-QWHCGFSZSA-N
MW301.39 g/mol
LogP2.60
Rot. Bonds3

About (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 100816548) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID100816548
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN(C(=O)[C@@H](C)Oc2nn(C)c3ccccc23)C1
InChIInChI=1S/C17H23N3O2/c1-12-7-6-10-20(11-12)17(21)13(2)22-16-14-8-4-5-9-15(14)19(3)18-16/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyZACLJXKWRADWBE-QWHCGFSZSA-N
XLogP2.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(1-methylindazol-3-yl)oxypropan-1-one
CID 100816542
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
2-(1-methylindazol-3-yl)oxypropanoic acid
CID 112757766
(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid
CID 124676429
N-(2-cyclopropylethyl)-2-(1-methylindazol-3-yl)oxypropanamide
CID 102567259
2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 126420962
2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one
CID 53043794
(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
CID 100816524
(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 100768275
2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
2-methyl-5-[1-(2-phenoxypropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541211

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (CID 100816548) is (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is C[C@H]1CCCN(C(=O)[C@@H](C)Oc2nn(C)c3ccccc23)C1.
What is the InChIKey of (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is ZACLJXKWRADWBE-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-7-6-10-20(11-12)17(21)13(2)22-16-14-8-4-5-9-15(14)19(3)18-16/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 100816548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).