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

C26H32N6 — CID 10526567

IUPACN-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESC[C@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1
InChIInChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m0/s1
InChIKeyUUCPSPVEDZDFNM-FQEVSTJZSA-N
MW428.58 g/mol
LogP4.50
Rot. Bonds8

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

N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (PubChem CID 10526567) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
PubChem CID10526567
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC NameN-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESC[C@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1
InChIInChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m0/s1
InChIKeyUUCPSPVEDZDFNM-FQEVSTJZSA-N
XLogP4.50
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (CID 10526567) is N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is C[C@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The InChIKey is UUCPSPVEDZDFNM-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine has a molecular weight of 428.58 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is sourced from PubChem (CID 10526567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).