(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one

C12H16N2O2S — CID 129345042

IUPAC(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one
SMILESC[C@@H]1CN(C(=O)CCc2nccs2)CCC1=O
InChIInChI=1S/C12H16N2O2S/c1-9-8-14(6-4-10(9)15)12(16)3-2-11-13-5-7-17-11/h5,7,9H,2-4,6,8H2,1H3/t9-/m1/s1
InChIKeyYJXMPOOOMKTBHD-SECBINFHSA-N
MW252.34 g/mol
LogP1.51
Rot. Bonds3

About (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one

(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one (PubChem CID 129345042) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one.

Molecular Properties

Compound Name(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one
PubChem CID129345042
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one
SMILESC[C@@H]1CN(C(=O)CCc2nccs2)CCC1=O
InChIInChI=1S/C12H16N2O2S/c1-9-8-14(6-4-10(9)15)12(16)3-2-11-13-5-7-17-11/h5,7,9H,2-4,6,8H2,1H3/t9-/m1/s1
InChIKeyYJXMPOOOMKTBHD-SECBINFHSA-N
XLogP1.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one
CID 114499910
4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239816
2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248715
1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 95591002
N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide
CID 136524578
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 96500899
1-(2-ethoxyacetyl)-3-methylpiperidin-4-one
CID 114499683
1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56687363
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;dihydrochloride
CID 120807012
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388329
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 94599269
1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388352

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one?
The IUPAC name of (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one (CID 129345042) is (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one.
What is the SMILES notation for (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one?
The canonical SMILES for (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one is C[C@@H]1CN(C(=O)CCc2nccs2)CCC1=O.
What is the InChIKey of (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one?
The InChIKey is YJXMPOOOMKTBHD-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9-8-14(6-4-10(9)15)12(16)3-2-11-13-5-7-17-11/h5,7,9H,2-4,6,8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one?
(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one has a molecular weight of 252.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one is sourced from PubChem (CID 129345042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).