6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one

C19H27N3O5S — CID 170507219

IUPAC6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C19H27N3O5S/c1-14-13-16(15-5-4-6-15)27-19(24)17(14)18(23)20-9-11-22(12-10-20)28(25,26)21-7-2-3-8-21/h13,15H,2-12H2,1H3
InChIKeySPUQXIQODUESRM-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.31
Rot. Bonds4

About 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one

6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one (PubChem CID 170507219) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
PubChem CID170507219
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C19H27N3O5S/c1-14-13-16(15-5-4-6-15)27-19(24)17(14)18(23)20-9-11-22(12-10-20)28(25,26)21-7-2-3-8-21/h13,15H,2-12H2,1H3
InChIKeySPUQXIQODUESRM-UHFFFAOYSA-N
XLogP1.31
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride
CID 171710974
3-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170508839
6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one
CID 170509556
6-cyclobutyl-3-[4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-4-methylpyran-2-one
CID 170509181
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 171386250
4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
CID 170511443
6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
CID 170507797
6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
CID 170511586
6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
CID 170506178
4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one
CID 170510204
4-methyl-6-piperidin-3-yl-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)pyran-2-one;dihydrochloride
CID 171712671
3-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170505702

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one?
The IUPAC name of 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one (CID 170507219) is 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one.
What is the SMILES notation for 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one?
The canonical SMILES for 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one is Cc1cc(C2CCC2)oc(=O)c1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one?
The InChIKey is SPUQXIQODUESRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-14-13-16(15-5-4-6-15)27-19(24)17(14)18(23)20-9-11-22(12-10-20)28(25,26)21-7-2-3-8-21/h13,15H,2-12H2,1H3.
What are the key properties of 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one?
6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one has a molecular weight of 409.51 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one is sourced from PubChem (CID 170507219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).