1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one

C24H31N3O3S — CID 165422259

IUPAC1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CC(C(=O)N2CCC(c3ccccc3)(c3csc(C)n3)CC2)CCC1=O
InChIInChI=1S/C24H31N3O3S/c1-18-25-21(17-31-18)24(20-6-4-3-5-7-20)10-12-26(13-11-24)23(29)19-8-9-22(28)27(16-19)14-15-30-2/h3-7,17,19H,8-16H2,1-2H3
InChIKeyPSCYFLPIVSNGHZ-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.25
Rot. Bonds6

About 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one

1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one (PubChem CID 165422259) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one
PubChem CID165422259
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one
SMILESCOCCN1CC(C(=O)N2CCC(c3ccccc3)(c3csc(C)n3)CC2)CCC1=O
InChIInChI=1S/C24H31N3O3S/c1-18-25-21(17-31-18)24(20-6-4-3-5-7-20)10-12-26(13-11-24)23(29)19-8-9-22(28)27(16-19)14-15-30-2/h3-7,17,19H,8-16H2,1-2H3
InChIKeyPSCYFLPIVSNGHZ-UHFFFAOYSA-N
XLogP3.25
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 166600011
(4S)-4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 165421830
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 165425692
5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
CID 45192162
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride
CID 166599817

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one (CID 165422259) is 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one is COCCN1CC(C(=O)N2CCC(c3ccccc3)(c3csc(C)n3)CC2)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one?
The InChIKey is PSCYFLPIVSNGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18-25-21(17-31-18)24(20-6-4-3-5-7-20)10-12-26(13-11-24)23(29)19-8-9-22(28)27(16-19)14-15-30-2/h3-7,17,19H,8-16H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one?
1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one has a molecular weight of 441.60 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 165422259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).