2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

C17H26ClN3O2 — CID 46770109

IUPAC2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-14(23-16-6-3-5-15(18)13-16)17(22)19-7-4-8-21-11-9-20(2)10-12-21/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,19,22)
InChIKeyVEQHBYOLIKQWLU-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.86
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 46770109) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID46770109
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-14(23-16-6-3-5-15(18)13-16)17(22)19-7-4-8-21-11-9-20(2)10-12-21/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,19,22)
InChIKeyVEQHBYOLIKQWLU-UHFFFAOYSA-N
XLogP1.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 28564718
2-(3-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55728053
(2S)-2-(3-chlorophenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]propanamide
CID 99952072
(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
CID 99972262
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604391
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972774
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
(2S)-2-(2-chloro-5-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 52515244
(2R)-2-(3-chlorophenoxy)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 94018587

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 46770109) is 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is VEQHBYOLIKQWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-14(23-16-6-3-5-15(18)13-16)17(22)19-7-4-8-21-11-9-20(2)10-12-21/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 339.87 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 46770109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).