ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate

C20H29N3O3 — CID 67239711

IUPACethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate
SMILESCCOC(=O)Cc1nn(CC2CCN(CCOC)CC2)c2ccccc12
InChIInChI=1S/C20H29N3O3/c1-3-26-20(24)14-18-17-6-4-5-7-19(17)23(21-18)15-16-8-10-22(11-9-16)12-13-25-2/h4-7,16H,3,8-15H2,1-2H3
InChIKeyKVLNZHMEIIGGOU-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.50
Rot. Bonds8

About ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate

ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate (PubChem CID 67239711) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate
PubChem CID67239711
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nameethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate
SMILESCCOC(=O)Cc1nn(CC2CCN(CCOC)CC2)c2ccccc12
InChIInChI=1S/C20H29N3O3/c1-3-26-20(24)14-18-17-6-4-5-7-19(17)23(21-18)15-16-8-10-22(11-9-16)12-13-25-2/h4-7,16H,3,8-15H2,1-2H3
InChIKeyKVLNZHMEIIGGOU-UHFFFAOYSA-N
XLogP2.50
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate?
The IUPAC name of ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate (CID 67239711) is ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate is CCOC(=O)Cc1nn(CC2CCN(CCOC)CC2)c2ccccc12.
What is the InChIKey of ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate?
The InChIKey is KVLNZHMEIIGGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-26-20(24)14-18-17-6-4-5-7-19(17)23(21-18)15-16-8-10-22(11-9-16)12-13-25-2/h4-7,16H,3,8-15H2,1-2H3.
What are the key properties of ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate?
ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate has a molecular weight of 359.47 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]indazol-3-yl]acetate is sourced from PubChem (CID 67239711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).