N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide

C20H28N6O2 — CID 43020077

IUPACN-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1
InChIInChI=1S/C20H28N6O2/c1-3-4-10-21-18(27)15-24-11-13-25(14-12-24)20(28)19-16(2)22-26(23-19)17-8-6-5-7-9-17/h5-9H,3-4,10-15H2,1-2H3,(H,21,27)
InChIKeyULXSRNORMJEBFT-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.25
Rot. Bonds7

About N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide

N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 43020077) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID43020077
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1
InChIInChI=1S/C20H28N6O2/c1-3-4-10-21-18(27)15-24-11-13-25(14-12-24)20(28)19-16(2)22-26(23-19)17-8-6-5-7-9-17/h5-9H,3-4,10-15H2,1-2H3,(H,21,27)
InChIKeyULXSRNORMJEBFT-UHFFFAOYSA-N
XLogP1.25
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]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

2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014592
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 46684636
N-(3-methoxypropyl)-2-[4-(4-oxo-3-phenylphthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 55427113
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27741719
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
N-butyl-2-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 18163223
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide (CID 43020077) is N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1.
What is the InChIKey of N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ULXSRNORMJEBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-3-4-10-21-18(27)15-24-11-13-25(14-12-24)20(28)19-16(2)22-26(23-19)17-8-6-5-7-9-17/h5-9H,3-4,10-15H2,1-2H3,(H,21,27).
What are the key properties of N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 43020077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).