N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide

C17H25N3O2 — CID 109046120

IUPACN-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)18-15(21)13-5-7-14(8-6-13)16(22)20-11-9-19(4)10-12-20/h5-8H,9-12H2,1-4H3,(H,18,21)
InChIKeyGIMIQAWCJNKCJC-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.60
Rot. Bonds2

About N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide

N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109046120) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109046120
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)18-15(21)13-5-7-14(8-6-13)16(22)20-11-9-19(4)10-12-20/h5-8H,9-12H2,1-4H3,(H,18,21)
InChIKeyGIMIQAWCJNKCJC-UHFFFAOYSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide 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

4-(azepane-1-carbonyl)-N-tert-butylbenzamide
CID 48845413
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide
CID 48851794
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046211
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide (CID 109046120) is N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide is CN1CCN(C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)CC1.
What is the InChIKey of N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is GIMIQAWCJNKCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)18-15(21)13-5-7-14(8-6-13)16(22)20-11-9-19(4)10-12-20/h5-8H,9-12H2,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 303.41 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109046120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).