2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide

C17H27N3O — CID 80548084

IUPAC2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide
SMILESCCCc1ccccc1NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C17H27N3O/c1-4-7-14-8-5-6-9-15(14)19-16(21)17(2,3)20-12-10-18-11-13-20/h5-6,8-9,18H,4,7,10-13H2,1-3H3,(H,19,21)
InChIKeyLYPRAHNWFXQFCD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.26
Rot. Bonds5

About 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide

2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide (PubChem CID 80548084) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide
PubChem CID80548084
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide
SMILESCCCc1ccccc1NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C17H27N3O/c1-4-7-14-8-5-6-9-15(14)19-16(21)17(2,3)20-12-10-18-11-13-20/h5-6,8-9,18H,4,7,10-13H2,1-3H3,(H,19,21)
InChIKeyLYPRAHNWFXQFCD-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide 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-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547875
3-piperidin-4-yl-N-(2-propylphenyl)propanamide;hydrochloride
CID 75418755
2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 80548019
ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
tert-butyl N-[2-(2-piperazin-1-ylethyl)phenyl]carbamate
CID 117111782
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453
3-methyl-N-(2-propylphenyl)piperidine-3-carboxamide
CID 63130513
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 106954484
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide (CID 80548084) is 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide is CCCc1ccccc1NC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide?
The InChIKey is LYPRAHNWFXQFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-7-14-8-5-6-9-15(14)19-16(21)17(2,3)20-12-10-18-11-13-20/h5-6,8-9,18H,4,7,10-13H2,1-3H3,(H,19,21).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide?
2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide is sourced from PubChem (CID 80548084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).