5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one

C24H29ClN2O2 — CID 15104522

IUPAC5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(CCCCN3CCN(c4cccc(Cl)c4)CC3)cc2)O1
InChIInChI=1S/C24H29ClN2O2/c25-21-5-3-6-22(18-21)27-16-14-26(15-17-27)13-2-1-4-19-7-9-20(10-8-19)23-11-12-24(28)29-23/h3,5-10,18,23H,1-2,4,11-17H2
InChIKeyUIFQHLPVHVSZOU-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.86
Rot. Bonds7

About 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one

5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one (PubChem CID 15104522) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one.

Molecular Properties

Compound Name5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one
PubChem CID15104522
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(CCCCN3CCN(c4cccc(Cl)c4)CC3)cc2)O1
InChIInChI=1S/C24H29ClN2O2/c25-21-5-3-6-22(18-21)27-16-14-26(15-17-27)13-2-1-4-19-7-9-20(10-8-19)23-11-12-24(28)29-23/h3,5-10,18,23H,1-2,4,11-17H2
InChIKeyUIFQHLPVHVSZOU-UHFFFAOYSA-N
XLogP4.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
CID 13084721
4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid
CID 14423689
5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one
CID 71477463
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381129
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(4-phenylbutyl)-1,2,4-triazol-3-one
CID 13369924
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
CID 131905298
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 10571609
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
CID 22029328
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol
CID 69351262
(7aS)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 990015

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one?
The IUPAC name of 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one (CID 15104522) is 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one.
What is the SMILES notation for 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one?
The canonical SMILES for 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one is O=C1CCC(c2ccc(CCCCN3CCN(c4cccc(Cl)c4)CC3)cc2)O1.
What is the InChIKey of 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one?
The InChIKey is UIFQHLPVHVSZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c25-21-5-3-6-22(18-21)27-16-14-26(15-17-27)13-2-1-4-19-7-9-20(10-8-19)23-11-12-24(28)29-23/h3,5-10,18,23H,1-2,4,11-17H2.
What are the key properties of 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one?
5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one has a molecular weight of 412.96 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one is sourced from PubChem (CID 15104522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).