tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate

C24H35N7O2 — CID 19965204

IUPACtert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C24H35N7O2/c1-24(2,3)33-23(32)25-8-10-30-13-11-29(12-14-30)9-4-5-19-16-26-22-7-6-20(15-21(19)22)31-17-27-28-18-31/h6-7,15-18,26H,4-5,8-14H2,1-3H3,(H,25,32)
InChIKeyZMGLWLRILCNWHK-UHFFFAOYSA-N
MW453.59 g/mol
LogP2.82
Rot. Bonds8

About tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate (PubChem CID 19965204) has the molecular formula C24H35N7O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate
PubChem CID19965204
Molecular FormulaC24H35N7O2
Molecular Weight453.59 g/mol
Exact Mass453.29
IUPAC Nametert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C24H35N7O2/c1-24(2,3)33-23(32)25-8-10-30-13-11-29(12-14-30)9-4-5-19-16-26-22-7-6-20(15-21(19)22)31-17-27-28-18-31/h6-7,15-18,26H,4-5,8-14H2,1-3H3,(H,25,32)
InChIKeyZMGLWLRILCNWHK-UHFFFAOYSA-N
XLogP2.82
TPSA91.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate with MolForge

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Related Compounds

L-775,606
CID 6426760
L-741604
CID 9881526
(3S)-3-(N-benzyl)aminomethyl-1-[2-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)ethyl]pyrrolidine
CID 10386282
3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 9844873
3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 10341917
3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 18975369
3-(3-Piperazin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
CID 10614907
3-(2-Pyrrolidin-1-yl-ethyl)-5-[1,2,4]triazol-4-yl-1H-indole
CID 10468938
2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]acetamide
CID 23648232
3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
CID 6426761
3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 9952249
4-[(Isobutyl-methyl-amino)-methyl]-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
CID 10477461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate (CID 19965204) is tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate?
The InChIKey is ZMGLWLRILCNWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O2/c1-24(2,3)33-23(32)25-8-10-30-13-11-29(12-14-30)9-4-5-19-16-26-22-7-6-20(15-21(19)22)31-17-27-28-18-31/h6-7,15-18,26H,4-5,8-14H2,1-3H3,(H,25,32).
What are the key properties of tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate has a molecular weight of 453.59 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]carbamate is sourced from PubChem (CID 19965204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).