8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline

C21H29N3O2S — CID 20930309

IUPAC8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1
InChIInChI=1S/C21H29N3O2S/c1-17-7-12-23(13-8-17)16-18-9-14-24(15-10-18)27(25,26)20-6-2-4-19-5-3-11-22-21(19)20/h2-6,11,17-18H,7-10,12-16H2,1H3
InChIKeyANTVDSVUQABQRR-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.37
Rot. Bonds4

About 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline

8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline (PubChem CID 20930309) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
PubChem CID20930309
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1
InChIInChI=1S/C21H29N3O2S/c1-17-7-12-23(13-8-17)16-18-9-14-24(15-10-18)27(25,26)20-6-2-4-19-5-3-11-22-21(19)20/h2-6,11,17-18H,7-10,12-16H2,1H3
InChIKeyANTVDSVUQABQRR-UHFFFAOYSA-N
XLogP3.37
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 46287345
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-piperidin-1-ylsulfonylquinoline
CID 768759
N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine
CID 126890465
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline (CID 20930309) is 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline is CC1CCN(CC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1.
What is the InChIKey of 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline?
The InChIKey is ANTVDSVUQABQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-17-7-12-23(13-8-17)16-18-9-14-24(15-10-18)27(25,26)20-6-2-4-19-5-3-11-22-21(19)20/h2-6,11,17-18H,7-10,12-16H2,1H3.
What are the key properties of 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline?
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline has a molecular weight of 387.55 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 20930309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).