methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate

C15H23NO3 — CID 112745083

IUPACmethyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C15H23NO3/c1-19-15(18)12-4-2-3-9-16(12)14(17)13(10-5-6-10)11-7-8-11/h10-13H,2-9H2,1H3
InChIKeyXOLQXSSQYGDYMQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.98
Rot. Bonds4

About methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate

methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate (PubChem CID 112745083) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
PubChem CID112745083
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C15H23NO3/c1-19-15(18)12-4-2-3-9-16(12)14(17)13(10-5-6-10)11-7-8-11/h10-13H,2-9H2,1H3
InChIKeyXOLQXSSQYGDYMQ-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-(2,2-dicyclopropylacetyl)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 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
methyl 1-(2-cyanobutanoyl)piperidine-2-carboxylate
CID 113330465

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate (CID 112745083) is methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)C(C1CC1)C1CC1.
What is the InChIKey of methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate?
The InChIKey is XOLQXSSQYGDYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-19-15(18)12-4-2-3-9-16(12)14(17)13(10-5-6-10)11-7-8-11/h10-13H,2-9H2,1H3.
What are the key properties of methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate?
methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 112745083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).