methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate

C14H26N2O3 — CID 78921362

IUPACmethyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CC(=O)NCCC(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-11(2)6-7-15-13(17)10-16-8-4-5-12(9-16)14(18)19-3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyFZDAGXBJRIMKHP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.03
Rot. Bonds6

About methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate

methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 78921362) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID78921362
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CC(=O)NCCC(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-11(2)6-7-15-13(17)10-16-8-4-5-12(9-16)14(18)19-3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyFZDAGXBJRIMKHP-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 79047605
methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79046631
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730592
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 46650338
methyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
CID 78920654
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate (CID 78921362) is methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate is COC(=O)C1CCCN(CC(=O)NCCC(C)C)C1.
What is the InChIKey of methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is FZDAGXBJRIMKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)6-7-15-13(17)10-16-8-4-5-12(9-16)14(18)19-3/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate?
methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 78921362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).