N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide

C14H20ClN3O — CID 1092653

IUPACN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(C)=O)cc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-3-17-6-8-18(9-7-17)14-5-4-12(10-13(14)15)16-11(2)19/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyPGPXSUJCYWPODW-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.44
Rot. Bonds3

About N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide

N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide (PubChem CID 1092653) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide
PubChem CID1092653
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(C)=O)cc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-3-17-6-8-18(9-7-17)14-5-4-12(10-13(14)15)16-11(2)19/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyPGPXSUJCYWPODW-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.44
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

1-(3-Chlorophenyl)piperazine
CID 1355
N-(3-Chlorophenyl)acetamide
CID 11493
Acetamide, N-(2,5-dichlorophenyl)-
CID 17494
o-Chloroacetanilide
CID 10777
1-(2-Chlorophenyl)piperazine
CID 415628
Clibucaine
CID 65613
3-Chloro-4-morpholinoaniline
CID 108661
3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604
1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
1-(2-Chlorophenylcarbamoyl)-2-methylpiperidine
CID 3136155
3-Chloro-4-(piperidin-1-yl)aniline
CID 736350
1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
CID 736269

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide (CID 1092653) is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide is CCN1CCN(c2ccc(NC(C)=O)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is PGPXSUJCYWPODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-17-6-8-18(9-7-17)14-5-4-12(10-13(14)15)16-11(2)19/h4-5,10H,3,6-9H2,1-2H3,(H,16,19).
What are the key properties of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 281.79 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 1092653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).