[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

C22H28N4O — CID 118111819

IUPAC[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCCC(c3cc4cc(C)ccc4n3CC)C2)cn1
InChIInChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-10-6-7-17(14-24)21-12-18-11-16(3)8-9-20(18)26(21)5-2/h8-9,11-13,15,17H,4-7,10,14H2,1-3H3
InChIKeyFSWOGHXJVUBWBX-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.21
Rot. Bonds4

About [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 118111819) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID118111819
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCCC(c3cc4cc(C)ccc4n3CC)C2)cn1
InChIInChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-10-6-7-17(14-24)21-12-18-11-16(3)8-9-20(18)26(21)5-2/h8-9,11-13,15,17H,4-7,10,14H2,1-3H3
InChIKeyFSWOGHXJVUBWBX-UHFFFAOYSA-N
XLogP4.21
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone (CID 118111819) is [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)N2CCCC(c3cc4cc(C)ccc4n3CC)C2)cn1.
What is the InChIKey of [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is FSWOGHXJVUBWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-10-6-7-17(14-24)21-12-18-11-16(3)8-9-20(18)26(21)5-2/h8-9,11-13,15,17H,4-7,10,14H2,1-3H3.
What are the key properties of [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone?
[3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethyl-5-methylindol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 118111819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).