2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide

C18H27N3O2 — CID 772363

IUPAC2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)17(22)19-15-5-7-16(8-6-15)20-9-11-21(12-10-20)18(23)14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,19,22)
InChIKeyJPTWFLUOGADLQV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.59
Rot. Bonds4

About 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide

2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide (PubChem CID 772363) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
PubChem CID772363
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)17(22)19-15-5-7-16(8-6-15)20-9-11-21(12-10-20)18(23)14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,19,22)
InChIKeyJPTWFLUOGADLQV-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055949
4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
1-[4-(4-aminophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 936774
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 18196358
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 51172052
N-[4-[[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55540658
2-(4-tert-butylphenoxy)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 4262797
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide (CID 772363) is 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?
The InChIKey is JPTWFLUOGADLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)17(22)19-15-5-7-16(8-6-15)20-9-11-21(12-10-20)18(23)14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,19,22).
What are the key properties of 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide?
2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 772363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).