5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane

C14H23ClN2O — CID 171560544

IUPAC5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane
SMILESCC.CC1CNCC[C@]1(C)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C12H17ClN2O.C2H6/c1-8-6-14-4-3-12(8,2)10-5-9(13)7-15-11(10)16;1-2/h5,7-8,14H,3-4,6H2,1-2H3,(H,15,16);1-2H3/t8?,12-;/m0./s1
InChIKeyQQCXPAQJLIBECS-COSMAPIXSA-N
MW270.80 g/mol
LogP2.94
Rot. Bonds1

About 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane

5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane (PubChem CID 171560544) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane
PubChem CID171560544
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane
SMILESCC.CC1CNCC[C@]1(C)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C12H17ClN2O.C2H6/c1-8-6-14-4-3-12(8,2)10-5-9(13)7-15-11(10)16;1-2/h5,7-8,14H,3-4,6H2,1-2H3,(H,15,16);1-2H3/t8?,12-;/m0./s1
InChIKeyQQCXPAQJLIBECS-COSMAPIXSA-N
XLogP2.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-[(4R,5R)-4-fluoro-2,2,5-trimethylthian-4-yl]-1H-pyridin-2-one
CID 166125110
4-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dimethylpiperidin-1-yl]-4-oxobutanal
CID 171560530
(4S)-3,4-dimethyl-4-phenylpiperidine
CID 69326944
5-chloro-3-[4-fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-1H-pyridin-2-one
CID 166125168
3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
CID 11052767
3-(3,4-dimethylpiperidin-4-yl)benzoic acid
CID 66952349
4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-4-ol
CID 114502007
3-[(3R,4S)-3,4-dimethylpiperidin-4-yl]phenol;phenol
CID 67900798
5-chloro-3-(4-fluoro-3-methylpiperidin-4-yl)-1H-pyridin-2-one;N-(2-hydroxyethyl)-2-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)acetamide
CID 171560679
4-(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 23137070
6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 114499550
3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine
CID 22707943

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane?
The IUPAC name of 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane (CID 171560544) is 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane.
What is the SMILES notation for 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane?
The canonical SMILES for 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane is CC.CC1CNCC[C@]1(C)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane?
The InChIKey is QQCXPAQJLIBECS-COSMAPIXSA-N. The full InChI is InChI=1S/C12H17ClN2O.C2H6/c1-8-6-14-4-3-12(8,2)10-5-9(13)7-15-11(10)16;1-2/h5,7-8,14H,3-4,6H2,1-2H3,(H,15,16);1-2H3/t8?,12-;/m0./s1.
What are the key properties of 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane?
5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane has a molecular weight of 270.80 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane is sourced from PubChem (CID 171560544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).