N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide

C16H25N3O — CID 937387

IUPACN-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-13-4-5-14(2)15(12-13)17-16(20)6-7-19-10-8-18(3)9-11-19/h4-5,12H,6-11H2,1-3H3,(H,17,20)
InChIKeyDHCLELBUESKXDB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.88
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 937387) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID937387
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-13-4-5-14(2)15(12-13)17-16(20)6-7-19-10-8-18(3)9-11-19/h4-5,12H,6-11H2,1-3H3,(H,17,20)
InChIKeyDHCLELBUESKXDB-UHFFFAOYSA-N
XLogP1.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 937387) is N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide is Cc1ccc(C)c(NC(=O)CCN2CCN(C)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is DHCLELBUESKXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-4-5-14(2)15(12-13)17-16(20)6-7-19-10-8-18(3)9-11-19/h4-5,12H,6-11H2,1-3H3,(H,17,20).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 937387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).