2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide

C16H22N4O — CID 67241568

IUPAC2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide
SMILESCN1CCCC(Cn2nc(CC(N)=O)c3ccccc32)C1
InChIInChI=1S/C16H22N4O/c1-19-8-4-5-12(10-19)11-20-15-7-3-2-6-13(15)14(18-20)9-16(17)21/h2-3,6-7,12H,4-5,8-11H2,1H3,(H2,17,21)
InChIKeyDBNQFOZFJPSLJD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.41
Rot. Bonds4

About 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide

2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide (PubChem CID 67241568) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide
PubChem CID67241568
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide
SMILESCN1CCCC(Cn2nc(CC(N)=O)c3ccccc32)C1
InChIInChI=1S/C16H22N4O/c1-19-8-4-5-12(10-19)11-20-15-7-3-2-6-13(15)14(18-20)9-16(17)21/h2-3,6-7,12H,4-5,8-11H2,1H3,(H2,17,21)
InChIKeyDBNQFOZFJPSLJD-UHFFFAOYSA-N
XLogP1.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]acetate
CID 57481633
2-(1-methylindazol-3-yl)acetamide
CID 67465474
2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide
CID 158370369
ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate
CID 67239711
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
2-[1-[(1-ethylindazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 136532272
2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
CID 67239924
3-[(1-methylpiperidin-3-yl)methyl]benzotriazole-5-carboxylic acid
CID 82784140
(3S)-1-[2-(1-methylindazol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 122107141
4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 122540815
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 121491668
2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215204

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide?
The IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide (CID 67241568) is 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide?
The canonical SMILES for 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide is CN1CCCC(Cn2nc(CC(N)=O)c3ccccc32)C1.
What is the InChIKey of 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide?
The InChIKey is DBNQFOZFJPSLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-8-4-5-12(10-19)11-20-15-7-3-2-6-13(15)14(18-20)9-16(17)21/h2-3,6-7,12H,4-5,8-11H2,1H3,(H2,17,21).
What are the key properties of 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide?
2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide is sourced from PubChem (CID 67241568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).