1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole

C19H25N5 — CID 18796514

IUPAC1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole
SMILESCC1CCN(CCCn2ccc3ccc(-n4cnnc4)cc32)CC1
InChIInChI=1S/C19H25N5/c1-16-5-10-22(11-6-16)8-2-9-23-12-7-17-3-4-18(13-19(17)23)24-14-20-21-15-24/h3-4,7,12-16H,2,5-6,8-11H2,1H3
InChIKeyWQYDINLMIBXTLS-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.34
Rot. Bonds5

About 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole

1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole (PubChem CID 18796514) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole
PubChem CID18796514
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole
SMILESCC1CCN(CCCn2ccc3ccc(-n4cnnc4)cc32)CC1
InChIInChI=1S/C19H25N5/c1-16-5-10-22(11-6-16)8-2-9-23-12-7-17-3-4-18(13-19(17)23)24-14-20-21-15-24/h3-4,7,12-16H,2,5-6,8-11H2,1H3
InChIKeyWQYDINLMIBXTLS-UHFFFAOYSA-N
XLogP3.34
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole (CID 18796514) is 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole is CC1CCN(CCCn2ccc3ccc(-n4cnnc4)cc32)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole?
The InChIKey is WQYDINLMIBXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-16-5-10-22(11-6-16)8-2-9-23-12-7-17-3-4-18(13-19(17)23)24-14-20-21-15-24/h3-4,7,12-16H,2,5-6,8-11H2,1H3.
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole?
1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole has a molecular weight of 323.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)propyl]-6-(1,2,4-triazol-4-yl)indole is sourced from PubChem (CID 18796514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).