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

C27H32N6 — CID 69101528

IUPACN-[(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
SMILESc1ccc2c(c1)CC[C@@H]2NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C27H32N6/c1-2-6-24-20(4-1)7-9-27(24)31-22-11-14-32(15-12-22)13-3-5-21-17-28-26-10-8-23(16-25(21)26)33-18-29-30-19-33/h1-2,4,6,8,10,16-19,22,27-28,31H,3,5,7,9,11-15H2/t27-/m0/s1
InChIKeyMOYKUUSYBCKGFS-MHZLTWQESA-N
MW440.60 g/mol
LogP4.42
Rot. Bonds7

About 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

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 (PubChem CID 69101528) has the molecular formula C27H32N6 and a molecular weight of 440.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID69101528
Molecular FormulaC27H32N6
Molecular Weight440.60 g/mol
Exact Mass440.27
IUPAC NameN-[(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
SMILESc1ccc2c(c1)CC[C@@H]2NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C27H32N6/c1-2-6-24-20(4-1)7-9-27(24)31-22-11-14-32(15-12-22)13-3-5-21-17-28-26-10-8-23(16-25(21)26)33-18-29-30-19-33/h1-2,4,6,8,10,16-19,22,27-28,31H,3,5,7,9,11-15H2/t27-/m0/s1
InChIKeyMOYKUUSYBCKGFS-MHZLTWQESA-N
XLogP4.42
TPSA61.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.60
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

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
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-ol
CID 54080331
(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
3-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10644750
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
3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10741528
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
3-[3-(4-benzyl-3-methylpiperazin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67690579
3-[3-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 54217225
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
4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile
CID 18975330

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)CC[C@@H]2NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1.
What is the InChIKey of 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?
The InChIKey is MOYKUUSYBCKGFS-MHZLTWQESA-N. The full InChI is InChI=1S/C27H32N6/c1-2-6-24-20(4-1)7-9-27(24)31-22-11-14-32(15-12-22)13-3-5-21-17-28-26-10-8-23(16-25(21)26)33-18-29-30-19-33/h1-2,4,6,8,10,16-19,22,27-28,31H,3,5,7,9,11-15H2/t27-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 440.60 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69101528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).