N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide

C15H21N3O2 — CID 711710

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-15(20)16-13-4-6-14(7-5-13)18-10-8-17(9-11-18)12(2)19/h4-7H,3,8-11H2,1-2H3,(H,16,20)
InChIKeyJXBZSYWKRORKDE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.70
Rot. Bonds3

About N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide (PubChem CID 711710) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
PubChem CID711710
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-15(20)16-13-4-6-14(7-5-13)18-10-8-17(9-11-18)12(2)19/h4-7H,3,8-11H2,1-2H3,(H,16,20)
InChIKeyJXBZSYWKRORKDE-UHFFFAOYSA-N
XLogP1.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.70
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-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
2-[2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoethyl]benzoic acid
CID 56761664
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110615118
N-[4-(4-acetyl-1,4-diazepan-1-yl)phenyl]-2-cyanoacetamide
CID 168521277
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
CID 650852
methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate
CID 113078316

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide (CID 711710) is N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide is CCC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is JXBZSYWKRORKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-15(20)16-13-4-6-14(7-5-13)18-10-8-17(9-11-18)12(2)19/h4-7H,3,8-11H2,1-2H3,(H,16,20).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 711710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).