1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one

C19H28N2O2 — CID 137338502

IUPAC1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)cc1=O
InChIInChI=1S/C19H28N2O2/c1-18(2)16(19(18,3)4)17(23)21-10-7-13(8-11-21)14-6-9-20(5)15(22)12-14/h6,9,12-13,16H,7-8,10-11H2,1-5H3
InChIKeyHMNMVJZNAUTCOS-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.77
Rot. Bonds2

About 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one

1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one (PubChem CID 137338502) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one
PubChem CID137338502
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)cc1=O
InChIInChI=1S/C19H28N2O2/c1-18(2)16(19(18,3)4)17(23)21-10-7-13(8-11-21)14-6-9-20(5)15(22)12-14/h6,9,12-13,16H,7-8,10-11H2,1-5H3
InChIKeyHMNMVJZNAUTCOS-UHFFFAOYSA-N
XLogP2.77
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one (CID 137338502) is 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one is Cn1ccc(C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)cc1=O.
What is the InChIKey of 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one?
The InChIKey is HMNMVJZNAUTCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2)16(19(18,3)4)17(23)21-10-7-13(8-11-21)14-6-9-20(5)15(22)12-14/h6,9,12-13,16H,7-8,10-11H2,1-5H3.
What are the key properties of 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one?
1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one has a molecular weight of 316.44 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 137338502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).