N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine

C24H34N6 — CID 11795644

IUPACN-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESCC(C)=CCN(C)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C24H34N6/c1-19(2)8-12-28(3)21-9-13-29(14-10-21)11-4-5-20-16-25-24-7-6-22(15-23(20)24)30-17-26-27-18-30/h6-8,15-18,21,25H,4-5,9-14H2,1-3H3
InChIKeyMZDPHJWJOIRIFO-UHFFFAOYSA-N
MW406.58 g/mol
LogP4.04
Rot. Bonds8

About N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine

N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (PubChem CID 11795644) has the molecular formula C24H34N6 and a molecular weight of 406.58 g/mol. Its IUPAC name is N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
PubChem CID11795644
Molecular FormulaC24H34N6
Molecular Weight406.58 g/mol
Exact Mass406.28
IUPAC NameN-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESCC(C)=CCN(C)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C24H34N6/c1-19(2)8-12-28(3)21-9-13-29(14-10-21)11-4-5-20-16-25-24-7-6-22(15-23(20)24)30-17-26-27-18-30/h6-8,15-18,21,25H,4-5,9-14H2,1-3H3
InChIKeyMZDPHJWJOIRIFO-UHFFFAOYSA-N
XLogP4.04
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (CID 11795644) is N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is CC(C)=CCN(C)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1.
What is the InChIKey of N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The InChIKey is MZDPHJWJOIRIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6/c1-19(2)8-12-28(3)21-9-13-29(14-10-21)11-4-5-20-16-25-24-7-6-22(15-23(20)24)30-17-26-27-18-30/h6-8,15-18,21,25H,4-5,9-14H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine has a molecular weight of 406.58 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbut-2-enyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is sourced from PubChem (CID 11795644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).