1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone

C14H17N3O — CID 43048609

IUPAC1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc3cn[nH]c23)CC1
InChIInChI=1S/C14H17N3O/c1-10-5-7-17(8-6-10)14(18)12-4-2-3-11-9-15-16-13(11)12/h2-4,9-10H,5-8H2,1H3,(H,15,16)
InChIKeyTUUDUTHPXYUKAA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.43
Rot. Bonds1

About 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone

1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone (PubChem CID 43048609) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone
PubChem CID43048609
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc3cn[nH]c23)CC1
InChIInChI=1S/C14H17N3O/c1-10-5-7-17(8-6-10)14(18)12-4-2-3-11-9-15-16-13(11)12/h2-4,9-10H,5-8H2,1H3,(H,15,16)
InChIKeyTUUDUTHPXYUKAA-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone (CID 43048609) is 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc3cn[nH]c23)CC1.
What is the InChIKey of 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone?
The InChIKey is TUUDUTHPXYUKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-5-7-17(8-6-10)14(18)12-4-2-3-11-9-15-16-13(11)12/h2-4,9-10H,5-8H2,1H3,(H,15,16).
What are the key properties of 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone?
1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 43048609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).