(1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone

C23H27N3O3 — CID 140595019

IUPAC(1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone
SMILESCCOc1cccc(OC2CCN(C(=O)c3ccc4c(c3)c(C)nn4C)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-4-28-19-6-5-7-20(15-19)29-18-10-12-26(13-11-18)23(27)17-8-9-22-21(14-17)16(2)24-25(22)3/h5-9,14-15,18H,4,10-13H2,1-3H3
InChIKeyVSAYQCLCAZISNC-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.96
Rot. Bonds5

About (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone

(1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone (PubChem CID 140595019) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone
PubChem CID140595019
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone
SMILESCCOc1cccc(OC2CCN(C(=O)c3ccc4c(c3)c(C)nn4C)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-4-28-19-6-5-7-20(15-19)29-18-10-12-26(13-11-18)23(27)17-8-9-22-21(14-17)16(2)24-25(22)3/h5-9,14-15,18H,4,10-13H2,1-3H3
InChIKeyVSAYQCLCAZISNC-UHFFFAOYSA-N
XLogP3.96
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-ethoxyphenoxy)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 67169946
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67170002
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67170684
1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70744251
(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 136530461
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161847

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone (CID 140595019) is (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone is CCOc1cccc(OC2CCN(C(=O)c3ccc4c(c3)c(C)nn4C)CC2)c1.
What is the InChIKey of (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone?
The InChIKey is VSAYQCLCAZISNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-28-19-6-5-7-20(15-19)29-18-10-12-26(13-11-18)23(27)17-8-9-22-21(14-17)16(2)24-25(22)3/h5-9,14-15,18H,4,10-13H2,1-3H3.
What are the key properties of (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone?
(1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone has a molecular weight of 393.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 140595019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).