1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone

C14H17N3O — CID 110485432

IUPAC1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H17N3O/c1-10-4-2-3-7-17(10)14(18)11-5-6-13-12(8-11)9-15-16-13/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)
InChIKeyFHWWOCYLINKEBB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.58
Rot. Bonds1

About 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone

1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone (PubChem CID 110485432) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
PubChem CID110485432
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H17N3O/c1-10-4-2-3-7-17(10)14(18)11-5-6-13-12(8-11)9-15-16-13/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)
InChIKeyFHWWOCYLINKEBB-UHFFFAOYSA-N
XLogP2.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
CID 62906843
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
CID 167885425
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
CID 43502692
[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 93084212
[(2S)-2-methylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741065
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone (CID 110485432) is 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone?
The InChIKey is FHWWOCYLINKEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-2-3-7-17(10)14(18)11-5-6-13-12(8-11)9-15-16-13/h5-6,8-10H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone?
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110485432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).