[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C18H23N3OS — CID 24793976

IUPAC[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)cs1
InChIInChI=1S/C18H23N3OS/c1-12-6-7-15(9-13(12)2)20-16-5-4-8-21(10-16)18(22)17-11-23-14(3)19-17/h6-7,9,11,16,20H,4-5,8,10H2,1-3H3
InChIKeyWAXPWQSDFZNSFV-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.79
Rot. Bonds3

About [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 24793976) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID24793976
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)cs1
InChIInChI=1S/C18H23N3OS/c1-12-6-7-15(9-13(12)2)20-16-5-4-8-21(10-16)18(22)17-11-23-14(3)19-17/h6-7,9,11,16,20H,4-5,8,10H2,1-3H3
InChIKeyWAXPWQSDFZNSFV-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 24793976) is [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)cs1.
What is the InChIKey of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is WAXPWQSDFZNSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-6-7-15(9-13(12)2)20-16-5-4-8-21(10-16)18(22)17-11-23-14(3)19-17/h6-7,9,11,16,20H,4-5,8,10H2,1-3H3.
What are the key properties of [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 329.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24793976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).