[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone

C16H22N4O — CID 103120809

IUPAC[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCC1CCC(CN)CN1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C16H22N4O/c1-11-7-8-12(9-17)10-20(11)16(21)15-13-5-3-4-6-14(13)19(2)18-15/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyZQGUUQRBGYFLHE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.77
Rot. Bonds2

About [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone

[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 103120809) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID103120809
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCC1CCC(CN)CN1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C16H22N4O/c1-11-7-8-12(9-17)10-20(11)16(21)15-13-5-3-4-6-14(13)19(2)18-15/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyZQGUUQRBGYFLHE-UHFFFAOYSA-N
XLogP1.77
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120794
(2-amino-4-methylpyrrolidin-1-yl)-(1-methylindazol-3-yl)methanone;hydrochloride
CID 162324070
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylindazol-3-yl)methanone
CID 103123263
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
(2S,4S)-4-amino-1-(1-methylindazole-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713767
(2,6-dimethylpiperazin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103120779
[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365
(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124705
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone
CID 166081458

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 103120809) is [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone is CC1CCC(CN)CN1C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is ZQGUUQRBGYFLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-7-8-12(9-17)10-20(11)16(21)15-13-5-3-4-6-14(13)19(2)18-15/h3-6,11-12H,7-10,17H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103120809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).