N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide

C15H27N3O3 — CID 99785323

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CCCN(C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-11-7-6-8-18(9-11)14(21)13(20)17(5)10-12(19)16-15(2,3)4/h11H,6-10H2,1-5H3,(H,16,19)/t11-/m1/s1
InChIKeyQESJGNIWYRGDHD-LLVKDONJSA-N
MW297.40 g/mol
LogP0.62
Rot. Bonds2

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 99785323) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID99785323
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@@H]1CCCN(C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-11-7-6-8-18(9-11)14(21)13(20)17(5)10-12(19)16-15(2,3)4/h11H,6-10H2,1-5H3,(H,16,19)/t11-/m1/s1
InChIKeyQESJGNIWYRGDHD-LLVKDONJSA-N
XLogP0.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523010
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
CID 8766762
2-[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978319
2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 27133312
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
methyl N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 94152272
(Z)-4-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55167926
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523021
3-methylpiperidine-1-carboxylic acid
CID 22047728
methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 75480937
N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide
CID 97348337
N,3-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 79163646

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide (CID 99785323) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide is C[C@@H]1CCCN(C(=O)C(=O)N(C)CC(=O)NC(C)(C)C)C1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is QESJGNIWYRGDHD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-7-6-8-18(9-11)14(21)13(20)17(5)10-12(19)16-15(2,3)4/h11H,6-10H2,1-5H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 297.40 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 99785323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).