3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C25H29N5 — CID 18975369

IUPAC3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1ccc(CC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1
InChIInChI=1S/C25H29N5/c1-2-5-20(6-3-1)15-21-10-13-29(14-11-21)12-4-7-22-17-26-25-9-8-23(16-24(22)25)30-18-27-28-19-30/h1-3,5-6,8-9,16-19,21,26H,4,7,10-15H2
InChIKeyDGBLGFKUPSZRAW-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.64
Rot. Bonds7

About 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 18975369) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID18975369
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1ccc(CC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1
InChIInChI=1S/C25H29N5/c1-2-5-20(6-3-1)15-21-10-13-29(14-11-21)12-4-7-22-17-26-25-9-8-23(16-24(22)25)30-18-27-28-19-30/h1-3,5-6,8-9,16-19,21,26H,4,7,10-15H2
InChIKeyDGBLGFKUPSZRAW-UHFFFAOYSA-N
XLogP4.64
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 18975369) is 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is c1ccc(CC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1.
What is the InChIKey of 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is DGBLGFKUPSZRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-2-5-20(6-3-1)15-21-10-13-29(14-11-21)12-4-7-22-17-26-25-9-8-23(16-24(22)25)30-18-27-28-19-30/h1-3,5-6,8-9,16-19,21,26H,4,7,10-15H2.
What are the key properties of 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 399.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzylpiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 18975369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).