methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate

C12H22N2O3 — CID 115537915

IUPACmethyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
SMILESCNC(=O)CCCN1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-13-11(15)7-5-9-14-8-4-3-6-10(14)12(16)17-2/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyCLQAETCJSNRIAT-SNVBAGLBSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

About methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate

methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate (PubChem CID 115537915) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
PubChem CID115537915
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
SMILESCNC(=O)CCCN1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-13-11(15)7-5-9-14-8-4-3-6-10(14)12(16)17-2/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyCLQAETCJSNRIAT-SNVBAGLBSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
CID 54569237
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate (CID 115537915) is methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate is CNC(=O)CCCN1CCCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate?
The InChIKey is CLQAETCJSNRIAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-11(15)7-5-9-14-8-4-3-6-10(14)12(16)17-2/h10H,3-9H2,1-2H3,(H,13,15)/t10-/m1/s1.
What are the key properties of methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate?
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate is sourced from PubChem (CID 115537915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).