3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine

C22H29N3O2S — CID 45226112

IUPAC3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(C2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C22H29N3O2S/c26-28(27,22-7-4-12-23-17-22)25-15-10-20(11-16-25)21-9-14-24(18-21)13-8-19-5-2-1-3-6-19/h1-7,12,17,20-21H,8-11,13-16,18H2
InChIKeyJVWDTUQPQINZGX-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.05
Rot. Bonds6

About 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine

3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine (PubChem CID 45226112) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine
PubChem CID45226112
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(C2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C22H29N3O2S/c26-28(27,22-7-4-12-23-17-22)25-15-10-20(11-16-25)21-9-14-24(18-21)13-8-19-5-2-1-3-6-19/h1-7,12,17,20-21H,8-11,13-16,18H2
InChIKeyJVWDTUQPQINZGX-UHFFFAOYSA-N
XLogP3.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
N,N-dimethyl-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 45245585
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
CID 45205063
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine (CID 45226112) is 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCC(C2CCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine?
The InChIKey is JVWDTUQPQINZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c26-28(27,22-7-4-12-23-17-22)25-15-10-20(11-16-25)21-9-14-24(18-21)13-8-19-5-2-1-3-6-19/h1-7,12,17,20-21H,8-11,13-16,18H2.
What are the key properties of 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine?
3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine has a molecular weight of 399.56 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 45226112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).