2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C18H23N3OS — CID 46807539

IUPAC2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CN3CCCC(C)C3)c2)cs1
InChIInChI=1S/C18H23N3OS/c1-13-5-4-8-21(10-13)11-18(22)20-16-7-3-6-15(9-16)17-12-23-14(2)19-17/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3,(H,20,22)
InChIKeyORTARQYBSPXYBK-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.79
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 46807539) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID46807539
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CN3CCCC(C)C3)c2)cs1
InChIInChI=1S/C18H23N3OS/c1-13-5-4-8-21(10-13)11-18(22)20-16-7-3-6-15(9-16)17-12-23-14(2)19-17/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3,(H,20,22)
InChIKeyORTARQYBSPXYBK-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111427212
2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 124939739
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26648669
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 24593653
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47049742
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364047
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8850331
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 110162542
N-[4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 164890391

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 46807539) is 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)CN3CCCC(C)C3)c2)cs1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is ORTARQYBSPXYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-5-4-8-21(10-13)11-18(22)20-16-7-3-6-15(9-16)17-12-23-14(2)19-17/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 46807539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).