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

C15H23N3O — CID 772582

IUPACN-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccccc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H23N3O/c1-13-5-3-4-6-14(13)16-15(19)7-8-18-11-9-17(2)10-12-18/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyMPGLCBFXJIBSBI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.57
Rot. Bonds4

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

N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 772582) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID772582
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccccc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H23N3O/c1-13-5-3-4-6-14(13)16-15(19)7-8-18-11-9-17(2)10-12-18/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyMPGLCBFXJIBSBI-UHFFFAOYSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 772582) is N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide is Cc1ccccc1NC(=O)CCN1CCN(C)CC1.
What is the InChIKey of N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is MPGLCBFXJIBSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13-5-3-4-6-14(13)16-15(19)7-8-18-11-9-17(2)10-12-18/h3-6H,7-12H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 772582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).