(2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide

C10H18N2O2 — CID 69065391

IUPAC(2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC(C)CCC1=O
InChIInChI=1S/C10H18N2O2/c1-3-8(10(11)14)12-6-7(2)4-5-9(12)13/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7?,8-/m0/s1
InChIKeyIQVVMFSXTICPEI-MQWKRIRWSA-N
MW198.27 g/mol
LogP0.51
Rot. Bonds3

About (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide

(2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide (PubChem CID 69065391) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide
PubChem CID69065391
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC(C)CCC1=O
InChIInChI=1S/C10H18N2O2/c1-3-8(10(11)14)12-6-7(2)4-5-9(12)13/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7?,8-/m0/s1
InChIKeyIQVVMFSXTICPEI-MQWKRIRWSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide?
The IUPAC name of (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide (CID 69065391) is (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide is CC[C@@H](C(N)=O)N1CC(C)CCC1=O.
What is the InChIKey of (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide?
The InChIKey is IQVVMFSXTICPEI-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-8(10(11)14)12-6-7(2)4-5-9(12)13/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide?
(2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide has a molecular weight of 198.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 69065391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).