[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone

C16H22N4O — CID 62906319

IUPAC[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
SMILESCN(C)CC1CCN(C(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C16H22N4O/c1-19(2)11-12-5-7-20(8-6-12)16(21)13-3-4-14-10-17-18-15(14)9-13/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,17,18)
InChIKeyJSUYCOVQXMJLQW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds3

About [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone

[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone (PubChem CID 62906319) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
PubChem CID62906319
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
SMILESCN(C)CC1CCN(C(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C16H22N4O/c1-19(2)11-12-5-7-20(8-6-12)16(21)13-3-4-14-10-17-18-15(14)9-13/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,17,18)
InChIKeyJSUYCOVQXMJLQW-UHFFFAOYSA-N
XLogP1.98
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid
CID 64604399
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 103352204
1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114539393
1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
CID 62906843
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone (CID 62906319) is [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone is CN(C)CC1CCN(C(=O)c2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone?
The InChIKey is JSUYCOVQXMJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(2)11-12-5-7-20(8-6-12)16(21)13-3-4-14-10-17-18-15(14)9-13/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,17,18).
What are the key properties of [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone?
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone is sourced from PubChem (CID 62906319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).