N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide

C15H23N3O — CID 70321883

IUPACN-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C15H23N3O/c1-13-4-6-14(7-5-13)17(3)15(19)12-18-10-8-16(2)9-11-18/h4-7H,8-12H2,1-3H3
InChIKeyKUUKHPKHSIMSBO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.21
Rot. Bonds3

About N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide

N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 70321883) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID70321883
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C15H23N3O/c1-13-4-6-14(7-5-13)17(3)15(19)12-18-10-8-16(2)9-11-18/h4-7H,8-12H2,1-3H3
InChIKeyKUUKHPKHSIMSBO-UHFFFAOYSA-N
XLogP1.21
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 21061007
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
CID 12734396
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
CID 173431785
CID 173431785
N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide
CID 145030171
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70061638
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 70321883) is N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide is Cc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is KUUKHPKHSIMSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13-4-6-14(7-5-13)17(3)15(19)12-18-10-8-16(2)9-11-18/h4-7H,8-12H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 70321883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).