2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine

C18H24N6 — CID 67653679

IUPAC2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine
SMILESCCCN1CC(n2cnnc2)C(N)CC1c1c[nH]c2ccccc12
InChIInChI=1S/C18H24N6/c1-2-7-23-10-18(24-11-21-22-12-24)15(19)8-17(23)14-9-20-16-6-4-3-5-13(14)16/h3-6,9,11-12,15,17-18,20H,2,7-8,10,19H2,1H3
InChIKeySSCRNMNGDVYDGK-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.48
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine

2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine (PubChem CID 67653679) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine
PubChem CID67653679
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine
SMILESCCCN1CC(n2cnnc2)C(N)CC1c1c[nH]c2ccccc12
InChIInChI=1S/C18H24N6/c1-2-7-23-10-18(24-11-21-22-12-24)15(19)8-17(23)14-9-20-16-6-4-3-5-13(14)16/h3-6,9,11-12,15,17-18,20H,2,7-8,10,19H2,1H3
InChIKeySSCRNMNGDVYDGK-UHFFFAOYSA-N
XLogP2.48
TPSA75.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine
CID 67653680
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955
4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine
CID 112742433
3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole
CID 13070747
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 69032046
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110540148
(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one
CID 10518687

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine?
The IUPAC name of 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine (CID 67653679) is 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine?
The canonical SMILES for 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine is CCCN1CC(n2cnnc2)C(N)CC1c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine?
The InChIKey is SSCRNMNGDVYDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-7-23-10-18(24-11-21-22-12-24)15(19)8-17(23)14-9-20-16-6-4-3-5-13(14)16/h3-6,9,11-12,15,17-18,20H,2,7-8,10,19H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine?
2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-propyl-5-(1,2,4-triazol-4-yl)piperidin-4-amine is sourced from PubChem (CID 67653679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).