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

C13H26N3O2+ — CID 8583094

IUPAC2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)C[NH+]1CCCC[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)/p+1/t11-/m1/s1
InChIKeyXZZUMZKCHBASNK-LLVKDONJSA-O
MW256.37 g/mol
LogP-0.07
Rot. Bonds4

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

2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 8583094) has the molecular formula C13H26N3O2+ and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID8583094
Molecular FormulaC13H26N3O2+
Molecular Weight256.37 g/mol
Exact Mass256.20
IUPAC Name2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)C[NH+]1CCCC[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)/p+1/t11-/m1/s1
InChIKeyXZZUMZKCHBASNK-LLVKDONJSA-O
XLogP-0.07
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8833397
N-(2-methylpropylcarbamoyl)cyclopropanecarboxamide
CID 110865956
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
2-(3-methylpiperidin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 51170637
N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8623412
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
1-(1-aminoethenyl)-3-(2-methylpropyl)urea
CID 18721993
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methylpropyl)acetamide
CID 9135403
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40608994
2-(2-methylpiperidin-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3455286
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (CID 8583094) is 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)C[NH+]1CCCC[C@H]1C.
What is the InChIKey of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is XZZUMZKCHBASNK-LLVKDONJSA-O. 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)/p+1/t11-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 256.37 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 8583094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).