methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate

C15H25NO3 — CID 79165530

IUPACmethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H25NO3/c1-14(2)11(15(14,3)4)12(17)16-9-7-6-8-10(16)13(18)19-5/h10-11H,6-9H2,1-5H3
InChIKeyJHFNXWBIHSBQLQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.22
Rot. Bonds2

About methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate

methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate (PubChem CID 79165530) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
PubChem CID79165530
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H25NO3/c1-14(2)11(15(14,3)4)12(17)16-9-7-6-8-10(16)13(18)19-5/h10-11H,6-9H2,1-5H3
InChIKeyJHFNXWBIHSBQLQ-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate
CID 81463255
methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
CID 112745083
methyl 1-(1-carbamothioylcyclobutanecarbonyl)piperidine-2-carboxylate
CID 115534684

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate (CID 79165530) is methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate?
The InChIKey is JHFNXWBIHSBQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(2)11(15(14,3)4)12(17)16-9-7-6-8-10(16)13(18)19-5/h10-11H,6-9H2,1-5H3.
What are the key properties of methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate?
methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79165530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).