1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

C19H26ClN3O3 — CID 109003218

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CN1CCC2(CC1)OCCO2)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O3/c20-16-2-1-3-17(14-16)22-8-10-23(11-9-22)18(24)15-21-6-4-19(5-7-21)25-12-13-26-19/h1-3,14H,4-13,15H2
InChIKeyNKZIMMSDYXRWNI-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.83
Rot. Bonds3

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 109003218) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID109003218
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CN1CCC2(CC1)OCCO2)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O3/c20-16-2-1-3-17(14-16)22-8-10-23(11-9-22)18(24)15-21-6-4-19(5-7-21)25-12-13-26-19/h1-3,14H,4-13,15H2
InChIKeyNKZIMMSDYXRWNI-UHFFFAOYSA-N
XLogP1.83
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 16909259
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027023
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione
CID 121448939
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78782366
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538299
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108985960

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 109003218) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(CN1CCC2(CC1)OCCO2)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is NKZIMMSDYXRWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c20-16-2-1-3-17(14-16)22-8-10-23(11-9-22)18(24)15-21-6-4-19(5-7-21)25-12-13-26-19/h1-3,14H,4-13,15H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 379.89 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 109003218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).