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

C15H22ClN3O — CID 952830

IUPACN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-3-15(20)17-12-5-6-14(13(16)11-12)19-9-7-18(4-2)8-10-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,20)
InChIKeyCQLBSBDWEVDLRE-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.83
Rot. Bonds4

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

N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide (PubChem CID 952830) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
PubChem CID952830
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-3-15(20)17-12-5-6-14(13(16)11-12)19-9-7-18(4-2)8-10-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,20)
InChIKeyCQLBSBDWEVDLRE-UHFFFAOYSA-N
XLogP2.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.83
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-(2-Chlorophenyl)piperazine
CID 415628
o-Chloroacetanilide
CID 10777
Clibucaine
CID 65613
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
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-methylpropanamide
CID 772860
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 883553
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
N-(3-chlorophenyl)-2-pyrrolidinylacetamide, chloride
CID 2917131
N,N'-(2-Chloro-1,4-phenylene)bis(3-oxobutaneamide)
CID 793871

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide (CID 952830) is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide is CCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is CQLBSBDWEVDLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-15(20)17-12-5-6-14(13(16)11-12)19-9-7-18(4-2)8-10-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,20).
What are the key properties of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide?
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 295.81 g/mol, XLogP of 2.83, 4 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]propanamide is sourced from PubChem (CID 952830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).