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

C26H32N6 — CID 10550488

IUPACN-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESC[C@@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cncn4)cc23)CC1)c1ccccc1
InChIInChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)32-19-27-18-29-32/h2-4,6-7,9-10,16-20,23,28,30H,5,8,11-15H2,1H3/t20-/m1/s1
InChIKeyPKLJUXFGICQUNP-HXUWFJFHSA-N
MW428.58 g/mol
LogP4.50
Rot. Bonds8

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

N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (PubChem CID 10550488) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
PubChem CID10550488
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC NameN-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
SMILESC[C@@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cncn4)cc23)CC1)c1ccccc1
InChIInChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)32-19-27-18-29-32/h2-4,6-7,9-10,16-20,23,28,30H,5,8,11-15H2,1H3/t20-/m1/s1
InChIKeyPKLJUXFGICQUNP-HXUWFJFHSA-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-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine with MolForge

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Related Compounds

3-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-1-ol
CID 70104878
2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
CID 10443732
(2R)-2-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methylamino]ethanol
CID 10766321
(2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol
CID 18665176
3-[3-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 54217225
methyl 2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetate
CID 10837583
methyl (2S)-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetate
CID 67655103
N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide
CID 10719202
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
CID 69101528
N-(furan-3-ylmethyl)-N-methyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
CID 10645715
4-[[[(1R)-2-hydroxy-1-phenylethyl]-methylamino]methyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-ol
CID 18665186
3-[3-[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole
CID 19610460

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine (CID 10550488) is N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cncn4)cc23)CC1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
The InChIKey is PKLJUXFGICQUNP-HXUWFJFHSA-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)13-5-8-22-17-28-26-10-9-24(16-25(22)26)32-19-27-18-29-32/h2-4,6-7,9-10,16-20,23,28,30H,5,8,11-15H2,1H3/t20-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine?
N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-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-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine is sourced from PubChem (CID 10550488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).