2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide

C17H25N3O2 — CID 110750495

IUPAC2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide
SMILESCc1ccc(CCC(=O)N2CCN(C(C)C(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-3-5-15(6-4-13)7-8-16(21)20-11-9-19(10-12-20)14(2)17(18)22/h3-6,14H,7-12H2,1-2H3,(H2,18,22)
InChIKeyWYRRTVQOODSEPV-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.95
Rot. Bonds5

About 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide

2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide (PubChem CID 110750495) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide
PubChem CID110750495
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide
SMILESCc1ccc(CCC(=O)N2CCN(C(C)C(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-3-5-15(6-4-13)7-8-16(21)20-11-9-19(10-12-20)14(2)17(18)22/h3-6,14H,7-12H2,1-2H3,(H2,18,22)
InChIKeyWYRRTVQOODSEPV-UHFFFAOYSA-N
XLogP0.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
ethyl 4-[3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 41455579
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 110750502
1-[4-(1-chloroethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 106838871
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110617506
1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108547860
1-(4-methylphenyl)-4-[4-[3-(4-methylphenyl)propanoyl]-1,4-diazepan-1-yl]butane-1,4-dione
CID 108546073
N-tert-butyl-4-[3-(4-methylphenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811775

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide (CID 110750495) is 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide is Cc1ccc(CCC(=O)N2CCN(C(C)C(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide?
The InChIKey is WYRRTVQOODSEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-3-5-15(6-4-13)7-8-16(21)20-11-9-19(10-12-20)14(2)17(18)22/h3-6,14H,7-12H2,1-2H3,(H2,18,22).
What are the key properties of 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide?
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 110750495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).