oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone

C19H26N2O3S — CID 110801198

IUPACoxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone
SMILESCC(C)Sc1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-14(2)25-16-7-5-15(6-8-16)18(22)20-9-11-21(12-10-20)19(23)17-4-3-13-24-17/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyKYJDWEYVGWMIPX-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.65
Rot. Bonds4

About oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110801198) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone
PubChem CID110801198
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Nameoxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone
SMILESCC(C)Sc1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-14(2)25-16-7-5-15(6-8-16)18(22)20-9-11-21(12-10-20)19(23)17-4-3-13-24-17/h5-8,14,17H,3-4,9-13H2,1-2H3
InChIKeyKYJDWEYVGWMIPX-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
N-propan-2-yl-4-(4-propan-2-ylsulfanylbenzoyl)piperazine-1-carboxamide
CID 110812714
[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4878720
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
N,N-dimethyl-4-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8933051
2-methyl-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800282
[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95320672
[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119563784
[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 49229106
oxolan-2-yl-[4-(4-propoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807125
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone (CID 110801198) is oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone is CC(C)Sc1ccc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is KYJDWEYVGWMIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-14(2)25-16-7-5-15(6-8-16)18(22)20-9-11-21(12-10-20)19(23)17-4-3-13-24-17/h5-8,14,17H,3-4,9-13H2,1-2H3.
What are the key properties of oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 362.50 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).