N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide

C16H24ClN3O2 — CID 56783071

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O2/c1-22-13-16(21)18-6-3-7-19-8-10-20(11-9-19)15-5-2-4-14(17)12-15/h2,4-5,12H,3,6-11,13H2,1H3,(H,18,21)
InChIKeyBSUZEPKFUZAFBG-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.61
Rot. Bonds7

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide (PubChem CID 56783071) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
PubChem CID56783071
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O2/c1-22-13-16(21)18-6-3-7-19-8-10-20(11-9-19)15-5-2-4-14(17)12-15/h2,4-5,12H,3,6-11,13H2,1H3,(H,18,21)
InChIKeyBSUZEPKFUZAFBG-UHFFFAOYSA-N
XLogP1.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.61
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

2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86899023
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 122176670
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride
CID 119903745
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111805444
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3236581
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-3-carboxamide
CID 119902990
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111763348

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide (CID 56783071) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide is COCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide?
The InChIKey is BSUZEPKFUZAFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-22-13-16(21)18-6-3-7-19-8-10-20(11-9-19)15-5-2-4-14(17)12-15/h2,4-5,12H,3,6-11,13H2,1H3,(H,18,21).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide has a molecular weight of 325.84 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide is sourced from PubChem (CID 56783071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).