[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

C25H32N2O3S — CID 55876771

IUPAC[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC2CCc2ccccc2)c1
InChIInChI=1S/C25H32N2O3S/c1-20-9-5-6-18-27(20)31(29,30)24-14-7-12-22(19-24)25(28)26-17-8-13-23(26)16-15-21-10-3-2-4-11-21/h2-4,7,10-12,14,19-20,23H,5-6,8-9,13,15-18H2,1H3
InChIKeyXEBGDIOUFGHPND-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.49
Rot. Bonds6

About [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 55876771) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID55876771
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC Name[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC2CCc2ccccc2)c1
InChIInChI=1S/C25H32N2O3S/c1-20-9-5-6-18-27(20)31(29,30)24-14-7-12-22(19-24)25(28)26-17-8-13-23(26)16-15-21-10-3-2-4-11-21/h2-4,7,10-12,14,19-20,23H,5-6,8-9,13,15-18H2,1H3
InChIKeyXEBGDIOUFGHPND-UHFFFAOYSA-N
XLogP4.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(2R)-1-[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-2-carboxylic acid
CID 119371631
(2R)-1-[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]piperidine-2-carboxylic acid
CID 40809123
3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 55924570
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 119486439
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
[2-(methylaminomethyl)pyrrolidin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119651900
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525
(3-methylpiperazin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119579874
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 109065536
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 55876771) is [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC2CCc2ccccc2)c1.
What is the InChIKey of [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XEBGDIOUFGHPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-20-9-5-6-18-27(20)31(29,30)24-14-7-12-22(19-24)25(28)26-17-8-13-23(26)16-15-21-10-3-2-4-11-21/h2-4,7,10-12,14,19-20,23H,5-6,8-9,13,15-18H2,1H3.
What are the key properties of [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
[3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 440.61 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpiperidin-1-yl)sulfonylphenyl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55876771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).