(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone

C20H30N2O4S — CID 90505242

IUPAC(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC(COCc3ccccc3)C2)CC1
InChIInChI=1S/C20H30N2O4S/c1-27(24,25)22-12-9-19(10-13-22)20(23)21-11-5-8-18(14-21)16-26-15-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3
InChIKeyGFDBZSVPSNDKHB-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.11
Rot. Bonds6

About (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone

(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone (PubChem CID 90505242) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
PubChem CID90505242
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC(COCc3ccccc3)C2)CC1
InChIInChI=1S/C20H30N2O4S/c1-27(24,25)22-12-9-19(10-13-22)20(23)21-11-5-8-18(14-21)16-26-15-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3
InChIKeyGFDBZSVPSNDKHB-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
1-[3-(phenylmethoxymethyl)piperidin-1-yl]-2-propylpentan-1-one
CID 90505130
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 142630178
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
(5,5-dimethylpyrrolidin-3-yl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 166280436
4-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]aniline
CID 79604451
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110658199
N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 94029580
(E)-3-(2-chlorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 90505090
(2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505233

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone (CID 90505242) is (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone is CS(=O)(=O)N1CCC(C(=O)N2CCCC(COCc3ccccc3)C2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
The InChIKey is GFDBZSVPSNDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-27(24,25)22-12-9-19(10-13-22)20(23)21-11-5-8-18(14-21)16-26-15-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone?
(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone has a molecular weight of 394.54 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90505242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).