N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide

C15H23N3O2 — CID 847303

IUPACN-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H23N3O2/c1-17-9-11-18(12-10-17)8-7-15(19)16-13-5-3-4-6-14(13)20-2/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyRJIUTXJLYMTQDB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.27
Rot. Bonds5

About N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 847303) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID847303
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H23N3O2/c1-17-9-11-18(12-10-17)8-7-15(19)16-13-5-3-4-6-14(13)20-2/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyRJIUTXJLYMTQDB-UHFFFAOYSA-N
XLogP1.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Urapidil
CID 5639
1-(2-Methoxyphenyl)piperazine
CID 1346
Pardoprunox
CID 6918525
Acetamide, N-(2-methoxyphenyl)-
CID 7135
Acetoacet-o-anisidide
CID 7078
1-(4-Methoxyphenyl)piperazine
CID 269722
5-Methylurapidil
CID 5640
3'-Amino-4'-methoxyacetanilide
CID 80779
N-(2-Methoxyphenyl)piperazine hydrochloride
CID 9899402
Urapidil hydrochloride
CID 167980
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
o-Ethoxyacetanilide
CID 11383

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 847303) is N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide is COc1ccccc1NC(=O)CCN1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is RJIUTXJLYMTQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-9-11-18(12-10-17)8-7-15(19)16-13-5-3-4-6-14(13)20-2/h3-6H,7-12H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 847303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).