methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate

C13H24N2O3 — CID 115174806

IUPACmethyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate
SMILESCOC(=O)C(C)(C)C(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C13H24N2O3/c1-13(2,12(17)18-5)11(16)15(4)10-7-6-8-14(3)9-10/h10H,6-9H2,1-5H3
InChIKeyZSEWYAZKSXYIMH-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.74
Rot. Bonds3

About methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate

methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate (PubChem CID 115174806) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate
PubChem CID115174806
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate
SMILESCOC(=O)C(C)(C)C(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C13H24N2O3/c1-13(2,12(17)18-5)11(16)15(4)10-7-6-8-14(3)9-10/h10H,6-9H2,1-5H3
InChIKeyZSEWYAZKSXYIMH-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoic acid
CID 82820537
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
3-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)-3-sulfanylidenepropanamide
CID 55084851
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575
2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115175075
N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
CID 79005735
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate (CID 115174806) is methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate is COC(=O)C(C)(C)C(=O)N(C)C1CCCN(C)C1.
What is the InChIKey of methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate?
The InChIKey is ZSEWYAZKSXYIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,12(17)18-5)11(16)15(4)10-7-6-8-14(3)9-10/h10H,6-9H2,1-5H3.
What are the key properties of methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate?
methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate has a molecular weight of 256.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate is sourced from PubChem (CID 115174806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).