1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C20H25N5O — CID 53192525

IUPAC1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCCn1cnnc1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H25N5O/c1-2-24-14-22-23-20(24)15-9-11-25(12-10-15)19(26)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13-15,21H,2,7-12H2,1H3
InChIKeyZSEQUZDCEOXMLW-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.12
Rot. Bonds5

About 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 53192525) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID53192525
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCCn1cnnc1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H25N5O/c1-2-24-14-22-23-20(24)15-9-11-25(12-10-15)19(26)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13-15,21H,2,7-12H2,1H3
InChIKeyZSEQUZDCEOXMLW-UHFFFAOYSA-N
XLogP3.12
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 53192525) is 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is CCn1cnnc1C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is ZSEQUZDCEOXMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-24-14-22-23-20(24)15-9-11-25(12-10-15)19(26)8-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13-15,21H,2,7-12H2,1H3.
What are the key properties of 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 351.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 53192525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).