N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide

C15H23N3O — CID 110856844

IUPACN-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
SMILESCN1CCN(CCC(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-16-10-12-18(13-11-16)9-8-15(19)17(2)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyMQIBVMOOIIDEQH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds4

About N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide

N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide (PubChem CID 110856844) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
PubChem CID110856844
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
SMILESCN1CCN(CCC(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-16-10-12-18(13-11-16)9-8-15(19)17(2)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyMQIBVMOOIIDEQH-UHFFFAOYSA-N
XLogP1.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
N-methyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014553
CID 173431785
CID 173431785
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 109029653
N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70321883
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
CID 12734396
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148
CID 88746072
CID 88746072
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide?
The IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide (CID 110856844) is N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide?
The canonical SMILES for N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide is CN1CCN(CCC(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide?
The InChIKey is MQIBVMOOIIDEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-10-12-18(13-11-16)9-8-15(19)17(2)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide?
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 110856844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).