[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C20H30N2O4S — CID 110357823

IUPAC[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCOC(c1ccccc1)C1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C20H30N2O4S/c1-26-19(16-6-4-3-5-7-16)17-8-12-21(13-9-17)20(23)18-10-14-22(15-11-18)27(2,24)25/h3-7,17-19H,8-15H2,1-2H3
InChIKeyDPAZXNGTTSFYPN-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.28
Rot. Bonds5

About [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 110357823) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID110357823
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCOC(c1ccccc1)C1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C20H30N2O4S/c1-26-19(16-6-4-3-5-7-16)17-8-12-21(13-9-17)20(23)18-10-14-22(15-11-18)27(2,24)25/h3-7,17-19H,8-15H2,1-2H3
InChIKeyDPAZXNGTTSFYPN-UHFFFAOYSA-N
XLogP2.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
CID 110357816
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110357763
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110357762
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
CID 110607741
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725414
(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110418535
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149930
1-(2-chlorophenyl)-4-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butane-1,4-dione
CID 110607769
[(7R)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 99878500

Frequently Asked Questions

What is the IUPAC name of [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 110357823) is [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is COC(c1ccccc1)C1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is DPAZXNGTTSFYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-26-19(16-6-4-3-5-7-16)17-8-12-21(13-9-17)20(23)18-10-14-22(15-11-18)27(2,24)25/h3-7,17-19H,8-15H2,1-2H3.
What are the key properties of [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 394.54 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 110357823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).