4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide

C22H27N3O3S — CID 142824885

IUPAC4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)CCOCC1
InChIInChI=1S/C22H27N3O3S/c23-21(26)22(10-16-28-17-11-22)29(27)25-14-12-24(13-15-25)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9H,10-17H2,(H2,23,26)
InChIKeyKYSMBIRFESIFEP-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.17
Rot. Bonds5

About 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide

4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide (PubChem CID 142824885) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide
PubChem CID142824885
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)CCOCC1
InChIInChI=1S/C22H27N3O3S/c23-21(26)22(10-16-28-17-11-22)29(27)25-14-12-24(13-15-25)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9H,10-17H2,(H2,23,26)
InChIKeyKYSMBIRFESIFEP-UHFFFAOYSA-N
XLogP2.17
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide
CID 142824899
1-(4-phenylphenyl)aziridine
CID 152682568
4-[[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]oxy-methylamino]oxane-4-carboxamide
CID 142824990
3-amino-4-[4-(4-phenylphenyl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
CID 134069337
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
3-(4-piperidin-1-ylphenyl)benzamide
CID 68760605
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120937664
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide?
The IUPAC name of 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide (CID 142824885) is 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide.
What is the SMILES notation for 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide?
The canonical SMILES for 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide is NC(=O)C1(S(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)CCOCC1.
What is the InChIKey of 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide?
The InChIKey is KYSMBIRFESIFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c23-21(26)22(10-16-28-17-11-22)29(27)25-14-12-24(13-15-25)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9H,10-17H2,(H2,23,26).
What are the key properties of 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide?
4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenylphenyl)piperazin-1-yl]sulfinyloxane-4-carboxamide is sourced from PubChem (CID 142824885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).