1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide

C15H23N3O2S — CID 86866464

IUPAC1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCCc1nc(CC(=O)N2CCCC(C(=O)N(C)C)C2)cs1
InChIInChI=1S/C15H23N3O2S/c1-4-13-16-12(10-21-13)8-14(19)18-7-5-6-11(9-18)15(20)17(2)3/h10-11H,4-9H2,1-3H3
InChIKeyXHLDGJLZNJLNKG-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide

1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 86866464) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID86866464
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCCc1nc(CC(=O)N2CCCC(C(=O)N(C)C)C2)cs1
InChIInChI=1S/C15H23N3O2S/c1-4-13-16-12(10-21-13)8-14(19)18-7-5-6-11(9-18)15(20)17(2)3/h10-11H,4-9H2,1-3H3
InChIKeyXHLDGJLZNJLNKG-UHFFFAOYSA-N
XLogP1.57
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
3-[1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanoic acid
CID 75472515
(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide
CID 97348515
1-(1,4-diazepan-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119415665
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(azepan-1-yl)ethanone
CID 82119937
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
(3S)-1-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 119174265
2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95331190
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 99788273
1-piperidin-1-yl-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386560
(3R,4R)-4-cyclopropyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120978523

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide (CID 86866464) is 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide is CCc1nc(CC(=O)N2CCCC(C(=O)N(C)C)C2)cs1.
What is the InChIKey of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is XHLDGJLZNJLNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-13-16-12(10-21-13)8-14(19)18-7-5-6-11(9-18)15(20)17(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 86866464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).