N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide

C13H16ClN3O2 — CID 168653528

IUPACN-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide
SMILESCC(=O)N1CCN(c2ccc(Cl)cc2NC=O)CC1
InChIInChI=1S/C13H16ClN3O2/c1-10(19)16-4-6-17(7-5-16)13-3-2-11(14)8-12(13)15-9-18/h2-3,8-9H,4-7H2,1H3,(H,15,18)
InChIKeyKWPXPIIDHOTBSO-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.58
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide

N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide (PubChem CID 168653528) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide
PubChem CID168653528
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide
SMILESCC(=O)N1CCN(c2ccc(Cl)cc2NC=O)CC1
InChIInChI=1S/C13H16ClN3O2/c1-10(19)16-4-6-17(7-5-16)13-3-2-11(14)8-12(13)15-9-18/h2-3,8-9H,4-7H2,1H3,(H,15,18)
InChIKeyKWPXPIIDHOTBSO-UHFFFAOYSA-N
XLogP1.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide
CID 168653889
N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide
CID 168653562
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
2-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]methylidene]propanedinitrile
CID 168542812
1-[4-[5-chloro-2-(hydroxymethyl)phenyl]piperazin-1-yl]ethanone
CID 114845158
N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 25239469
2-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]anilino]methylidene]propanedinitrile
CID 168542836
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 17066065
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 71964937

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide (CID 168653528) is N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide is CC(=O)N1CCN(c2ccc(Cl)cc2NC=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide?
The InChIKey is KWPXPIIDHOTBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-10(19)16-4-6-17(7-5-16)13-3-2-11(14)8-12(13)15-9-18/h2-3,8-9H,4-7H2,1H3,(H,15,18).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide?
N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide has a molecular weight of 281.74 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide is sourced from PubChem (CID 168653528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).