3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide

C16H27N3O2S — CID 95349181

IUPAC3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide
SMILESCc1sc(=O)n(CCC(=O)NCCN2CCC[C@@H](C)C2)c1C
InChIInChI=1S/C16H27N3O2S/c1-12-5-4-8-18(11-12)10-7-17-15(20)6-9-19-13(2)14(3)22-16(19)21/h12H,4-11H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeyQZNMPLYUVOXQAQ-GFCCVEGCSA-N
MW325.48 g/mol
LogP1.76
Rot. Bonds6

About 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide (PubChem CID 95349181) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide
PubChem CID95349181
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide
SMILESCc1sc(=O)n(CCC(=O)NCCN2CCC[C@@H](C)C2)c1C
InChIInChI=1S/C16H27N3O2S/c1-12-5-4-8-18(11-12)10-7-17-15(20)6-9-19-13(2)14(3)22-16(19)21/h12H,4-11H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeyQZNMPLYUVOXQAQ-GFCCVEGCSA-N
XLogP1.76
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-hydroxybutyl)propanamide
CID 111433631
N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109016229
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534464
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119851043
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 94115528
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576385
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92869637
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
CID 55715690
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide (CID 95349181) is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide is Cc1sc(=O)n(CCC(=O)NCCN2CCC[C@@H](C)C2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide?
The InChIKey is QZNMPLYUVOXQAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-12-5-4-8-18(11-12)10-7-17-15(20)6-9-19-13(2)14(3)22-16(19)21/h12H,4-11H2,1-3H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide?
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide has a molecular weight of 325.48 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 95349181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).