2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide

C18H24ClN3O3 — CID 51206927

IUPAC2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C18H24ClN3O3/c1-13(25-16-4-2-3-14(19)11-16)18(24)22-9-7-21(8-10-22)12-17(23)20-15-5-6-15/h2-4,11,13,15H,5-10,12H2,1H3,(H,20,23)
InChIKeyIBXNRCFHKUDZHW-UHFFFAOYSA-N
MW365.86 g/mol
LogP1.53
Rot. Bonds6

About 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 51206927) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID51206927
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C18H24ClN3O3/c1-13(25-16-4-2-3-14(19)11-16)18(24)22-9-7-21(8-10-22)12-17(23)20-15-5-6-15/h2-4,11,13,15H,5-10,12H2,1H3,(H,20,23)
InChIKeyIBXNRCFHKUDZHW-UHFFFAOYSA-N
XLogP1.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566581
2-[4-[2-(2-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134034895
1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55904910
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55364379
2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 112765505
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55364482
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 51206927) is 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide is CC(Oc1cccc(Cl)c1)C(=O)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is IBXNRCFHKUDZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-13(25-16-4-2-3-14(19)11-16)18(24)22-9-7-21(8-10-22)12-17(23)20-15-5-6-15/h2-4,11,13,15H,5-10,12H2,1H3,(H,20,23).
What are the key properties of 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 365.86 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 51206927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).