N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C18H32N6O — CID 91767838

IUPACN-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCCCCN1CCN(Cc2nnc(C3CC(NC(C)=O)C3)n2C)CC1
InChIInChI=1S/C18H32N6O/c1-4-5-6-23-7-9-24(10-8-23)13-17-20-21-18(22(17)3)15-11-16(12-15)19-14(2)25/h15-16H,4-13H2,1-3H3,(H,19,25)
InChIKeyNEEYJGRFVKMSQS-UHFFFAOYSA-N
MW348.50 g/mol
LogP1.11
Rot. Bonds7

About N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91767838) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91767838
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC NameN-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCCCCN1CCN(Cc2nnc(C3CC(NC(C)=O)C3)n2C)CC1
InChIInChI=1S/C18H32N6O/c1-4-5-6-23-7-9-24(10-8-23)13-17-20-21-18(22(17)3)15-11-16(12-15)19-14(2)25/h15-16H,4-13H2,1-3H3,(H,19,25)
InChIKeyNEEYJGRFVKMSQS-UHFFFAOYSA-N
XLogP1.11
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91767838) is N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CCCCN1CCN(Cc2nnc(C3CC(NC(C)=O)C3)n2C)CC1.
What is the InChIKey of N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is NEEYJGRFVKMSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-4-5-6-23-7-9-24(10-8-23)13-17-20-21-18(22(17)3)15-11-16(12-15)19-14(2)25/h15-16H,4-13H2,1-3H3,(H,19,25).
What are the key properties of N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 348.50 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(4-butylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91767838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).