methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate

C12H22N2O3 — CID 79202285

IUPACmethyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
SMILESCNCC(C)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-9(8-13-2)11(15)14-7-5-4-6-10(14)12(16)17-3/h9-10,13H,4-8H2,1-3H3
InChIKeyBUVAFDSSHVGSPP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.40
Rot. Bonds4

About methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate

methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate (PubChem CID 79202285) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
PubChem CID79202285
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
SMILESCNCC(C)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-9(8-13-2)11(15)14-7-5-4-6-10(14)12(16)17-3/h9-10,13H,4-8H2,1-3H3
InChIKeyBUVAFDSSHVGSPP-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 551045
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202503
methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
CID 112745083

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate (CID 79202285) is methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate is CNCC(C)C(=O)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate?
The InChIKey is BUVAFDSSHVGSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(8-13-2)11(15)14-7-5-4-6-10(14)12(16)17-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate?
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 79202285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).