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

C15H20ClN3O2 — CID 2995453

IUPACN-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccc(NC(C)=O)cc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c1-3-15(21)19-8-6-18(7-9-19)14-5-4-12(10-13(14)16)17-11(2)20/h4-5,10H,3,6-9H2,1-2H3,(H,17,20)
InChIKeyYLNRERAWKNSYLH-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.36
Rot. Bonds3

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

N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2995453) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
PubChem CID2995453
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccc(NC(C)=O)cc2Cl)CC1
InChIInChI=1S/C15H20ClN3O2/c1-3-15(21)19-8-6-18(7-9-19)14-5-4-12(10-13(14)16)17-11(2)20/h4-5,10H,3,6-9H2,1-2H3,(H,17,20)
InChIKeyYLNRERAWKNSYLH-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.36
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-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 2997299
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 3161523
4-chloro-N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 2976557
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-iodobenzamide
CID 17317554
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 3909607
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodobenzamide
CID 17317556
3-bromo-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxybenzamide
CID 17117952
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methylbenzamide
CID 17109997
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 6461156
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluorobenzamide
CID 17110010
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 17116013

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide (CID 2995453) is N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide is CCC(=O)N1CCN(c2ccc(NC(C)=O)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is YLNRERAWKNSYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-3-15(21)19-8-6-18(7-9-19)14-5-4-12(10-13(14)16)17-11(2)20/h4-5,10H,3,6-9H2,1-2H3,(H,17,20).
What are the key properties of N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 309.80 g/mol, XLogP of 2.36, 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-propanoylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2995453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).