(4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone

C25H29NO4S — CID 33183550

IUPAC(4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SC[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C25H29NO4S/c1-29-20-10-8-18(9-11-20)24(27)19-12-14-26(15-13-19)25(28)22-6-2-3-7-23(22)31-17-21-5-4-16-30-21/h2-3,6-11,19,21H,4-5,12-17H2,1H3/t21-/m1/s1
InChIKeyQMHBSLASZNZXPF-OAQYLSRUSA-N
MW439.58 g/mol
LogP4.70
Rot. Bonds7

About (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone (PubChem CID 33183550) has the molecular formula C25H29NO4S and a molecular weight of 439.58 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone
PubChem CID33183550
Molecular FormulaC25H29NO4S
Molecular Weight439.58 g/mol
Exact Mass439.18
IUPAC Name(4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SC[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C25H29NO4S/c1-29-20-10-8-18(9-11-20)24(27)19-12-14-26(15-13-19)25(28)22-6-2-3-7-23(22)31-17-21-5-4-16-30-21/h2-3,6-11,19,21H,4-5,12-17H2,1H3/t21-/m1/s1
InChIKeyQMHBSLASZNZXPF-OAQYLSRUSA-N
XLogP4.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

(3,4-dichlorophenyl)-[1-[2-(oxolan-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]methanone
CID 55956771
1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 32913637
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9400725
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[2-(4-methoxyanilino)-2-oxoethyl] 2-(oxolan-2-ylmethylsulfanyl)benzoate
CID 55403738
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733413
4-[4-[2-(oxolan-2-ylmethylsulfanyl)benzoyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720990
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55395647
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 2-(oxolan-2-ylmethylsulfanyl)benzoate
CID 55403758
[4-(1,1-dioxothiolan-3-yl)sulfonylpiperazin-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone
CID 55814155
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone
CID 46523810
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 134049973

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone (CID 33183550) is (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SC[C@H]3CCCO3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone?
The InChIKey is QMHBSLASZNZXPF-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29NO4S/c1-29-20-10-8-18(9-11-20)24(27)19-12-14-26(15-13-19)25(28)22-6-2-3-7-23(22)31-17-21-5-4-16-30-21/h2-3,6-11,19,21H,4-5,12-17H2,1H3/t21-/m1/s1.
What are the key properties of (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone has a molecular weight of 439.58 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 33183550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).