2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

C20H26N2O2S — CID 110313553

IUPAC2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCOc1ccc(C(C(=O)N2CCC(c3nccs3)CC2)C(C)C)cc1
InChIInChI=1S/C20H26N2O2S/c1-14(2)18(15-4-6-17(24-3)7-5-15)20(23)22-11-8-16(9-12-22)19-21-10-13-25-19/h4-7,10,13-14,16,18H,8-9,11-12H2,1-3H3
InChIKeyOOCPWTWQDTYHIZ-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 110313553) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID110313553
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCOc1ccc(C(C(=O)N2CCC(c3nccs3)CC2)C(C)C)cc1
InChIInChI=1S/C20H26N2O2S/c1-14(2)18(15-4-6-17(24-3)7-5-15)20(23)22-11-8-16(9-12-22)19-21-10-13-25-19/h4-7,10,13-14,16,18H,8-9,11-12H2,1-3H3
InChIKeyOOCPWTWQDTYHIZ-UHFFFAOYSA-N
XLogP4.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

Apramide A
CID 10653516
Apramide C
CID 10843605
Apramide D
CID 10724698
Apramide F
CID 10819827
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CID 3234016
(2S)-2-[[(2S)-2-[[(E)-3-methoxybut-2-enoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]-methylamino]-N,4-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]pentanamide
CID 44246700
1-[4-[3-[4-(1,3-Thiazol-2-ylmethyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one
CID 44304402
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CID 46865978
(2S)-2-[[(2S)-2-[[(E)-3-methoxybut-2-enoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]-methylamino]-N,4-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]pentanamide
CID 10349747
Lyngbyapeptin A
CID 21775293
Lyngbyapeptin C
CID 11018063
Lyngbyapeptin B
CID 11146976

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (CID 110313553) is 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is COc1ccc(C(C(=O)N2CCC(c3nccs3)CC2)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is OOCPWTWQDTYHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14(2)18(15-4-6-17(24-3)7-5-15)20(23)22-11-8-16(9-12-22)19-21-10-13-25-19/h4-7,10,13-14,16,18H,8-9,11-12H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 358.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110313553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).