N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide

C12H22N2O2 — CID 114500179

IUPACN-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCC(=O)C(C)C1
InChIInChI=1S/C12H22N2O2/c1-4-10(3)13-12(16)8-14-6-5-11(15)9(2)7-14/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyXSQOPBNWXACWIR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds4

About N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide

N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide (PubChem CID 114500179) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
PubChem CID114500179
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1CCC(=O)C(C)C1
InChIInChI=1S/C12H22N2O2/c1-4-10(3)13-12(16)8-14-6-5-11(15)9(2)7-14/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyXSQOPBNWXACWIR-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500254
2-(3-ethyl-4-oxopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 114509023
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730592
ethyl 4-(3-methyl-4-oxopiperidin-1-yl)-3-oxobutanoate
CID 114501322
N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500477
N-(4-chlorophenyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500174
N-butan-2-yl-2-(3-ethyl-4-hydroxypiperidin-1-yl)acetamide
CID 114511157
2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
CID 104975433
N-methyl-4-(3-methyl-4-oxopiperidin-1-yl)butanamide
CID 114500379
2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide
CID 114501145
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 134045389

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide (CID 114500179) is N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide is CCC(C)NC(=O)CN1CCC(=O)C(C)C1.
What is the InChIKey of N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide?
The InChIKey is XSQOPBNWXACWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-10(3)13-12(16)8-14-6-5-11(15)9(2)7-14/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide?
N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-methyl-4-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 114500179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).