(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide

C15H23N3O2S — CID 124569912

IUPAC(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1C(=O)NCCc1nc(C)c(C)s1
InChIInChI=1S/C15H23N3O2S/c1-10-11(2)21-14(17-10)7-8-16-15(20)13-6-4-5-9-18(13)12(3)19/h13H,4-9H2,1-3H3,(H,16,20)/t13-/m1/s1
InChIKeyBQUMMDZJXPYEIO-CYBMUJFWSA-N
MW309.44 g/mol
LogP1.82
Rot. Bonds4

About (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide

(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 124569912) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID124569912
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1C(=O)NCCc1nc(C)c(C)s1
InChIInChI=1S/C15H23N3O2S/c1-10-11(2)21-14(17-10)7-8-16-15(20)13-6-4-5-9-18(13)12(3)19/h13H,4-9H2,1-3H3,(H,16,20)/t13-/m1/s1
InChIKeyBQUMMDZJXPYEIO-CYBMUJFWSA-N
XLogP1.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 91784960
(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 95990027
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119891756
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45224796
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72873347
(3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95873402
(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 124569412
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide
CID 56878876
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119891748
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide
CID 97119377
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (CID 124569912) is (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is CC(=O)N1CCCC[C@@H]1C(=O)NCCc1nc(C)c(C)s1.
What is the InChIKey of (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is BQUMMDZJXPYEIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-11(2)21-14(17-10)7-8-16-15(20)13-6-4-5-9-18(13)12(3)19/h13H,4-9H2,1-3H3,(H,16,20)/t13-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 124569912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).