N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide

C28H35N7O — CID 67654291

IUPACN-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)N2CCNCC2)cc1
InChIInChI=1S/C28H35N7O/c1-21(36)33-25-8-5-22(6-9-25)15-26(34-13-11-29-12-14-34)4-2-3-24-17-31-28-10-7-23(16-27(24)28)18-35-20-30-19-32-35/h5-10,16-17,19-20,26,29,31H,2-4,11-15,18H2,1H3,(H,33,36)
InChIKeyVDEZADSVLACLBA-UHFFFAOYSA-N
MW485.64 g/mol
LogP3.61
Rot. Bonds10

About N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide

N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide (PubChem CID 67654291) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide
PubChem CID67654291
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC NameN-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)N2CCNCC2)cc1
InChIInChI=1S/C28H35N7O/c1-21(36)33-25-8-5-22(6-9-25)15-26(34-13-11-29-12-14-34)4-2-3-24-17-31-28-10-7-23(16-27(24)28)18-35-20-30-19-32-35/h5-10,16-17,19-20,26,29,31H,2-4,11-15,18H2,1H3,(H,33,36)
InChIKeyVDEZADSVLACLBA-UHFFFAOYSA-N
XLogP3.61
TPSA90.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;oxalic acid;hydrate
CID 67698369
bis(N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine);oxalic acid;hydrate
CID 67698373
N-methyl-N-[2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]pyrrolidin-3-amine
CID 23283185
2,6-diaminohexanoic acid;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 67365365
3-[3-[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole
CID 19610460
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine benzoate
CID 53403364
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 67085783
N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide
CID 67649802
3-[2-[(3R)-3-[(4-fluorophenyl)methylsulfinyl]-2-methylpyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole
CID 11698398
tert-butyl 3-[[ethyl-[2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]amino]methyl]azetidine-1-carboxylate;oxalic acid
CID 23283223
N-[(4-fluorophenyl)methyl]-1-[3-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 91281071
N-[4-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-2-yl]methyl]phenyl]acetamide
CID 18975309

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide (CID 67654291) is N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)N2CCNCC2)cc1.
What is the InChIKey of N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide?
The InChIKey is VDEZADSVLACLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-21(36)33-25-8-5-22(6-9-25)15-26(34-13-11-29-12-14-34)4-2-3-24-17-31-28-10-7-23(16-27(24)28)18-35-20-30-19-32-35/h5-10,16-17,19-20,26,29,31H,2-4,11-15,18H2,1H3,(H,33,36).
What are the key properties of N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide?
N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide has a molecular weight of 485.64 g/mol, XLogP of 3.61, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-piperazin-1-yl-5-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]pentyl]phenyl]acetamide is sourced from PubChem (CID 67654291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).