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

C14H19N3O2 — CID 2889550

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-11(18)15-13-3-5-14(6-4-13)17-9-7-16(8-10-17)12(2)19/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyZCYWBSLSRMSRPJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.31
Rot. Bonds2

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

N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2889550) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
PubChem CID2889550
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-11(18)15-13-3-5-14(6-4-13)17-9-7-16(8-10-17)12(2)19/h3-6H,7-10H2,1-2H3,(H,15,18)
InChIKeyZCYWBSLSRMSRPJ-UHFFFAOYSA-N
XLogP1.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.31
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

methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate
CID 113078316
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
[4-(4-acetyl-1,4-diazepan-1-yl)phenyl]thiourea
CID 169357151
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2,2-dimethylpropyl)urea
CID 110673110
3-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 53368825
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide (CID 2889550) is N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is ZCYWBSLSRMSRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(18)15-13-3-5-14(6-4-13)17-9-7-16(8-10-17)12(2)19/h3-6H,7-10H2,1-2H3,(H,15,18).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.31, 2 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]acetamide is sourced from PubChem (CID 2889550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).