N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

C12H22N2O2 — CID 108505442

IUPACN-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCCC(C)NC(=O)C(=O)N1CCCCC1C
InChIInChI=1S/C12H22N2O2/c1-4-9(2)13-11(15)12(16)14-8-6-5-7-10(14)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyLNDKXKFNCNNBME-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds2

About N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108505442) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108505442
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCCC(C)NC(=O)C(=O)N1CCCCC1C
InChIInChI=1S/C12H22N2O2/c1-4-9(2)13-11(15)12(16)14-8-6-5-7-10(14)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyLNDKXKFNCNNBME-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523374
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523448
(2R)-1-[2-(1-carboxypropan-2-ylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034849
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
2-(2-methylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 108511212
(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034631
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
(2S,3S)-3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]pentanoic acid
CID 122099884
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea
CID 95339356

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (CID 108505442) is N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is CCC(C)NC(=O)C(=O)N1CCCCC1C.
What is the InChIKey of N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is LNDKXKFNCNNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-9(2)13-11(15)12(16)14-8-6-5-7-10(14)3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 226.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108505442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).