1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane

C17H29N3O — CID 144929853

IUPAC1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane
SMILESCC.CCC(=O)N1[C@H](C)CN(c2ccc(C)cn2)C[C@@H]1C
InChIInChI=1S/C15H23N3O.C2H6/c1-5-15(19)18-12(3)9-17(10-13(18)4)14-7-6-11(2)8-16-14;1-2/h6-8,12-13H,5,9-10H2,1-4H3;1-2H3/t12-,13+;
InChIKeyOUWSOCOQCUDOCO-OEEJBDNKSA-N
MW291.44 g/mol
LogP3.25
Rot. Bonds2

About 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane

1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane (PubChem CID 144929853) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane
PubChem CID144929853
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane
SMILESCC.CCC(=O)N1[C@H](C)CN(c2ccc(C)cn2)C[C@@H]1C
InChIInChI=1S/C15H23N3O.C2H6/c1-5-15(19)18-12(3)9-17(10-13(18)4)14-7-6-11(2)8-16-14;1-2/h6-8,12-13H,5,9-10H2,1-4H3;1-2H3/t12-,13+;
InChIKeyOUWSOCOQCUDOCO-OEEJBDNKSA-N
XLogP3.25
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane with MolForge

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Related Compounds

ethane;methyl (2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 144929756
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66280580
2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681880
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine
CID 171070051
(NE)-N-[[(1R,5S)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylidene]hydroxylamine
CID 153307026
7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane
CID 18459724
benzyl N-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]carbamate
CID 139373881
(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
CID 59535791
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 142410038
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane?
The IUPAC name of 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane (CID 144929853) is 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane is CC.CCC(=O)N1[C@H](C)CN(c2ccc(C)cn2)C[C@@H]1C.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane?
The InChIKey is OUWSOCOQCUDOCO-OEEJBDNKSA-N. The full InChI is InChI=1S/C15H23N3O.C2H6/c1-5-15(19)18-12(3)9-17(10-13(18)4)14-7-6-11(2)8-16-14;1-2/h6-8,12-13H,5,9-10H2,1-4H3;1-2H3/t12-,13+;.
What are the key properties of 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane?
1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane has a molecular weight of 291.44 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one;ethane is sourced from PubChem (CID 144929853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).