methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate

C15H27NO3 — CID 113330634

IUPACmethyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
SMILESCCCCC(CC)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C15H27NO3/c1-4-6-9-12(5-2)14(17)16-11-8-7-10-13(16)15(18)19-3/h12-13H,4-11H2,1-3H3
InChIKeyGKVBKAZZYFXFKU-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.76
Rot. Bonds6

About methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate

methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate (PubChem CID 113330634) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
PubChem CID113330634
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
SMILESCCCCC(CC)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C15H27NO3/c1-4-6-9-12(5-2)14(17)16-11-8-7-10-13(16)15(18)19-3/h12-13H,4-11H2,1-3H3
InChIKeyGKVBKAZZYFXFKU-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
CID 78921934
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate
CID 23520236
methyl 1-(2-cyanobutanoyl)piperidine-2-carboxylate
CID 113330465
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
CID 115536152
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013
butyl (2S)-1-(2-methylpropanoyl)piperidine-2-carboxylate
CID 54008050
1-(2-propylpentanoyl)piperidine-2-carboxylic acid
CID 53215619

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate (CID 113330634) is methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate is CCCCC(CC)C(=O)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate?
The InChIKey is GKVBKAZZYFXFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-6-9-12(5-2)14(17)16-11-8-7-10-13(16)15(18)19-3/h12-13H,4-11H2,1-3H3.
What are the key properties of methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate?
methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 113330634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).