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

C27H33N7O — CID 10719202

IUPACN,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)C(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C27H33N7O/c1-31(2)27(35)26(21-7-4-3-5-8-21)33-15-13-32(14-16-33)12-6-9-22-18-28-25-11-10-23(17-24(22)25)34-19-29-30-20-34/h3-5,7-8,10-11,17-20,26,28H,6,9,12-16H2,1-2H3
InChIKeyREKUVDSCKYARIH-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.13
Rot. Bonds8

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

N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide (PubChem CID 10719202) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide
PubChem CID10719202
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC NameN,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)C(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1
InChIInChI=1S/C27H33N7O/c1-31(2)27(35)26(21-7-4-3-5-8-21)33-15-13-32(14-16-33)12-6-9-22-18-28-25-11-10-23(17-24(22)25)34-19-29-30-20-34/h3-5,7-8,10-11,17-20,26,28H,6,9,12-16H2,1-2H3
InChIKeyREKUVDSCKYARIH-UHFFFAOYSA-N
XLogP3.13
TPSA73.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide?
The IUPAC name of 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) is N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide is CN(C)C(=O)C(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1.
What is the InChIKey of N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide?
The InChIKey is REKUVDSCKYARIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-31(2)27(35)26(21-7-4-3-5-8-21)33-15-13-32(14-16-33)12-6-9-22-18-28-25-11-10-23(17-24(22)25)34-19-29-30-20-34/h3-5,7-8,10-11,17-20,26,28H,6,9,12-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide has a molecular weight of 471.61 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyl-2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 10719202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).