N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine

C23H28N6O — CID 11795525

IUPACN-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESc1cc(CNC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)co1
InChIInChI=1S/C23H28N6O/c1(8-28-9-5-20(6-10-28)24-13-18-7-11-30-15-18)2-19-14-25-23-4-3-21(12-22(19)23)29-16-26-27-17-29/h3-4,7,11-12,14-17,20,24-25H,1-2,5-6,8-10,13H2
InChIKeyMTODVLKVNOCUCW-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.53
Rot. Bonds8

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

N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (PubChem CID 11795525) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
PubChem CID11795525
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESc1cc(CNC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)co1
InChIInChI=1S/C23H28N6O/c1(8-28-9-5-20(6-10-28)24-13-18-7-11-30-15-18)2-19-14-25-23-4-3-21(12-22(19)23)29-16-26-27-17-29/h3-4,7,11-12,14-17,20,24-25H,1-2,5-6,8-10,13H2
InChIKeyMTODVLKVNOCUCW-UHFFFAOYSA-N
XLogP3.53
TPSA74.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The IUPAC name of N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (CID 11795525) is N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is c1cc(CNC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)co1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The InChIKey is MTODVLKVNOCUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1(8-28-9-5-20(6-10-28)24-13-18-7-11-30-15-18)2-19-14-25-23-4-3-21(12-22(19)23)29-16-26-27-17-29/h3-4,7,11-12,14-17,20,24-25H,1-2,5-6,8-10,13H2.
What are the key properties of N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine has a molecular weight of 404.52 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is sourced from PubChem (CID 11795525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).