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

C14H20ClN3O — CID 2996154

IUPACN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-3-14(19)16-11-4-5-13(12(15)10-11)18-8-6-17(2)7-9-18/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyYYPSWTHBGMAHKT-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.44
Rot. Bonds3

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

N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 2996154) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID2996154
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-3-14(19)16-11-4-5-13(12(15)10-11)18-8-6-17(2)7-9-18/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyYYPSWTHBGMAHKT-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

[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide
CID 6957202
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334956
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 4301255
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 2995453
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 2997299
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
N-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 91676098
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 17102767

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 2996154) is N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide is CCC(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is YYPSWTHBGMAHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-14(19)16-11-4-5-13(12(15)10-11)18-8-6-17(2)7-9-18/h4-5,10H,3,6-9H2,1-2H3,(H,16,19).
What are the key properties of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide 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-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 2996154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).