1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone

C16H21N3O2 — CID 53150859

IUPAC1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O2/c1-21-11-8-12-6-9-19(10-7-12)16(20)15-13-4-2-3-5-14(13)17-18-15/h2-5,12H,6-11H2,1H3,(H,17,18)
InChIKeyIIXRVPPKHOYXCT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds4

About 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone

1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150859) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID53150859
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O2/c1-21-11-8-12-6-9-19(10-7-12)16(20)15-13-4-2-3-5-14(13)17-18-15/h2-5,12H,6-11H2,1H3,(H,17,18)
InChIKeyIIXRVPPKHOYXCT-UHFFFAOYSA-N
XLogP2.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 53150859) is 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is IIXRVPPKHOYXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-11-8-12-6-9-19(10-7-12)16(20)15-13-4-2-3-5-14(13)17-18-15/h2-5,12H,6-11H2,1H3,(H,17,18).
What are the key properties of 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 287.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).