2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

C13H25N3O2 — CID 8583097

IUPAC2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN1CCCC[C@@H]1C
InChIInChI=1S/C13H25N3O2/c1-10(2)8-14-13(18)15-12(17)9-16-7-5-4-6-11(16)3/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)/t11-/m0/s1
InChIKeyXZZUMZKCHBASNK-NSHDSACASA-N
MW255.36 g/mol
LogP1.34
Rot. Bonds4

About 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 8583097) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID8583097
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN1CCCC[C@@H]1C
InChIInChI=1S/C13H25N3O2/c1-10(2)8-14-13(18)15-12(17)9-16-7-5-4-6-11(16)3/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)/t11-/m0/s1
InChIKeyXZZUMZKCHBASNK-NSHDSACASA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (CID 8583097) is 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN1CCCC[C@@H]1C.
What is the InChIKey of 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is XZZUMZKCHBASNK-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)8-14-13(18)15-12(17)9-16-7-5-4-6-11(16)3/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpiperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 8583097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).