4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine

C18H28N2O3S — CID 134017737

IUPAC4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESCOc1ccc(CCC2CCN(S(=O)(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-23-18-8-6-16(7-9-18)4-5-17-10-14-20(15-11-17)24(21,22)19-12-2-3-13-19/h6-9,17H,2-5,10-15H2,1H3
InChIKeyDLEYLTNOKJAAFM-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.68
Rot. Bonds6

About 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine

4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine (PubChem CID 134017737) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
PubChem CID134017737
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESCOc1ccc(CCC2CCN(S(=O)(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-23-18-8-6-16(7-9-18)4-5-17-10-14-20(15-11-17)24(21,22)19-12-2-3-13-19/h6-9,17H,2-5,10-15H2,1H3
InChIKeyDLEYLTNOKJAAFM-UHFFFAOYSA-N
XLogP2.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]sulfonylazepane
CID 52552627
(3R,4R)-4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]sulfonyl-1,1-dioxothiolan-3-ol
CID 51596205
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine
CID 55476665
4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 134813124
4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 146129180
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
CID 75416418
N-ethyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]benzenesulfonamide
CID 46808163
N-[2-(4-methoxyphenyl)ethyl]piperidine-1-sulfonamide
CID 47148921
(3aS,6aR)-3-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 42244433
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 55519032

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine (CID 134017737) is 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine is COc1ccc(CCC2CCN(S(=O)(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine?
The InChIKey is DLEYLTNOKJAAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-23-18-8-6-16(7-9-18)4-5-17-10-14-20(15-11-17)24(21,22)19-12-2-3-13-19/h6-9,17H,2-5,10-15H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine?
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine has a molecular weight of 352.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine is sourced from PubChem (CID 134017737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).