N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide

C12H22N2O2 — CID 60691255

IUPACN-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CCC(=O)CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)10(3)13-12(16)8-14-6-4-11(15)5-7-14/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyUYUCQSZQSFUGRV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds4

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

N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide (PubChem CID 60691255) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide
PubChem CID60691255
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CCC(=O)CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)10(3)13-12(16)8-14-6-4-11(15)5-7-14/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyUYUCQSZQSFUGRV-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

2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475
N-tert-butyl-2-(4-oxopiperidin-1-yl)acetamide
CID 24704213
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119920920
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63248872
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8554158
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63343532
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61489099

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide (CID 60691255) is N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide is CC(C)C(C)NC(=O)CN1CCC(=O)CC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide?
The InChIKey is UYUCQSZQSFUGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)10(3)13-12(16)8-14-6-4-11(15)5-7-14/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide?
N-(3-methylbutan-2-yl)-2-(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-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 60691255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).