[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone

C15H20N4O — CID 124690233

IUPAC[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone
SMILESC[C@@H]1CCCN(C(=O)c2cccc3cn[nH]c23)[C@@H]1CN
InChIInChI=1S/C15H20N4O/c1-10-4-3-7-19(13(10)8-16)15(20)12-6-2-5-11-9-17-18-14(11)12/h2,5-6,9-10,13H,3-4,7-8,16H2,1H3,(H,17,18)/t10-,13-/m1/s1
InChIKeyCZAJYNFPHUEEJW-ZWNOBZJWSA-N
MW272.35 g/mol
LogP1.76
Rot. Bonds2

About [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone

[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone (PubChem CID 124690233) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone
PubChem CID124690233
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone
SMILESC[C@@H]1CCCN(C(=O)c2cccc3cn[nH]c23)[C@@H]1CN
InChIInChI=1S/C15H20N4O/c1-10-4-3-7-19(13(10)8-16)15(20)12-6-2-5-11-9-17-18-14(11)12/h2,5-6,9-10,13H,3-4,7-8,16H2,1H3,(H,17,18)/t10-,13-/m1/s1
InChIKeyCZAJYNFPHUEEJW-ZWNOBZJWSA-N
XLogP1.76
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 119468138
[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
CID 91661580
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 124690231
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-chloro-3-fluorophenyl)methanone
CID 124603271
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443535
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950110
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119597192
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 95357635
[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807129
1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone
CID 87045422

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone?
The IUPAC name of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone (CID 124690233) is [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone.
What is the SMILES notation for [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone?
The canonical SMILES for [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone is C[C@@H]1CCCN(C(=O)c2cccc3cn[nH]c23)[C@@H]1CN.
What is the InChIKey of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone?
The InChIKey is CZAJYNFPHUEEJW-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-4-3-7-19(13(10)8-16)15(20)12-6-2-5-11-9-17-18-14(11)12/h2,5-6,9-10,13H,3-4,7-8,16H2,1H3,(H,17,18)/t10-,13-/m1/s1.
What are the key properties of [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone?
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone is sourced from PubChem (CID 124690233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).