[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone

C14H18N4O — CID 119468138

IUPAC[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone
SMILESNCC1CCCCN1C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C14H18N4O/c15-8-11-5-1-2-7-18(11)14(19)12-6-3-4-10-9-16-17-13(10)12/h3-4,6,9,11H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyWEASEYWZWGECSN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.52
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone

[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone (PubChem CID 119468138) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone
PubChem CID119468138
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone
SMILESNCC1CCCCN1C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C14H18N4O/c15-8-11-5-1-2-7-18(11)14(19)12-6-3-4-10-9-16-17-13(10)12/h3-4,6,9,11H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyWEASEYWZWGECSN-UHFFFAOYSA-N
XLogP1.52
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-7-yl)methanone
CID 91661580
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1H-indazol-7-yl)methanone
CID 124690233
1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 84596747
1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone
CID 87045422
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513776
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 124699260
[(2R)-2-(aminomethyl)piperidin-1-yl]-(1,3-benzodioxol-4-yl)methanone
CID 124573517
3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 125134550
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone (CID 119468138) is [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone is NCC1CCCCN1C(=O)c1cccc2cn[nH]c12.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone?
The InChIKey is WEASEYWZWGECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-8-11-5-1-2-7-18(11)14(19)12-6-3-4-10-9-16-17-13(10)12/h3-4,6,9,11H,1-2,5,7-8,15H2,(H,16,17).
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(1H-indazol-7-yl)methanone is sourced from PubChem (CID 119468138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).