N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide

C17H24ClN3O2 — CID 30971775

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-20-6-8-21(9-7-20)16-3-2-14(18)12-15(16)19-17(22)13-4-10-23-11-5-13/h2-3,12-13H,4-11H2,1H3,(H,19,22)
InChIKeyFOIJHWONTOECKH-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.46
Rot. Bonds3

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide (PubChem CID 30971775) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
PubChem CID30971775
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-20-6-8-21(9-7-20)16-3-2-14(18)12-15(16)19-17(22)13-4-10-23-11-5-13/h2-3,12-13H,4-11H2,1H3,(H,19,22)
InChIKeyFOIJHWONTOECKH-UHFFFAOYSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
1-(4-chlorobenzoyl)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 112794351
N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 112831975
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51262118
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 35357464
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090179
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide
CID 2680095
N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
CID 113092620
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2670278
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30929926
1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 78798756

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide (CID 30971775) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide is CN1CCN(c2ccc(Cl)cc2NC(=O)C2CCOCC2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide?
The InChIKey is FOIJHWONTOECKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-20-6-8-21(9-7-20)16-3-2-14(18)12-15(16)19-17(22)13-4-10-23-11-5-13/h2-3,12-13H,4-11H2,1H3,(H,19,22).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 30971775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).