2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one

C22H23N3O3S — CID 165425929

IUPAC2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one
SMILESCNc1nc(C2(c3ccccc3)CCN(C(=O)c3cc(=O)cc(C)o3)CC2)cs1
InChIInChI=1S/C22H23N3O3S/c1-15-12-17(26)13-18(28-15)20(27)25-10-8-22(9-11-25,16-6-4-3-5-7-16)19-14-29-21(23-2)24-19/h3-7,12-14H,8-11H2,1-2H3,(H,23,24)
InChIKeyFVNHHRFALSEGFY-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.67
Rot. Bonds4

About 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one

2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one (PubChem CID 165425929) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one
PubChem CID165425929
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one
SMILESCNc1nc(C2(c3ccccc3)CCN(C(=O)c3cc(=O)cc(C)o3)CC2)cs1
InChIInChI=1S/C22H23N3O3S/c1-15-12-17(26)13-18(28-15)20(27)25-10-8-22(9-11-25,16-6-4-3-5-7-16)19-14-29-21(23-2)24-19/h3-7,12-14H,8-11H2,1-2H3,(H,23,24)
InChIKeyFVNHHRFALSEGFY-UHFFFAOYSA-N
XLogP3.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one?
The IUPAC name of 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one (CID 165425929) is 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one?
The canonical SMILES for 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one is CNc1nc(C2(c3ccccc3)CCN(C(=O)c3cc(=O)cc(C)o3)CC2)cs1.
What is the InChIKey of 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one?
The InChIKey is FVNHHRFALSEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-12-17(26)13-18(28-15)20(27)25-10-8-22(9-11-25,16-6-4-3-5-7-16)19-14-29-21(23-2)24-19/h3-7,12-14H,8-11H2,1-2H3,(H,23,24).
What are the key properties of 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one?
2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one has a molecular weight of 409.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[2-(methylamino)-1,3-thiazol-4-yl]-4-phenylpiperidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 165425929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).