methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate

C12H22N2O3 — CID 115536152

IUPACmethyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
SMILESCCCCNC(=O)N1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-3-4-8-13-12(16)14-9-6-5-7-10(14)11(15)17-2/h10H,3-9H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyFFYCZPCKZQOVSV-SNVBAGLBSA-N
MW242.32 g/mol
LogP1.52
Rot. Bonds4

About methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate

methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate (PubChem CID 115536152) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
PubChem CID115536152
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
SMILESCCCCNC(=O)N1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-3-4-8-13-12(16)14-9-6-5-7-10(14)11(15)17-2/h10H,3-9H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyFFYCZPCKZQOVSV-SNVBAGLBSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-(3-propoxypropylcarbamoyl)azepane-2-carboxylic acid
CID 82943948
(2S)-N-butyl-2-[(butylcarbamoylamino)carbamoyl]pyrrolidine-1-carboxamide
CID 102288656
methyl 1-(2-oxononanoyl)piperidine-2-carboxylate
CID 146178879
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
CID 113330634
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115536975
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
methyl 1-(2-cyanobutanoyl)piperidine-2-carboxylate
CID 113330465
1-[3-(ethylamino)propylcarbamoyl]azepane-2-carboxylic acid
CID 64562140

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate (CID 115536152) is methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate is CCCCNC(=O)N1CCCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate?
The InChIKey is FFYCZPCKZQOVSV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-8-13-12(16)14-9-6-5-7-10(14)11(15)17-2/h10H,3-9H2,1-2H3,(H,13,16)/t10-/m1/s1.
What are the key properties of methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate?
methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate is sourced from PubChem (CID 115536152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).