methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate

C16H28N2O3 — CID 114428609

IUPACmethyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate
SMILESCCC1CCNC(C(=O)N2CCCCC2CC(=O)OC)C1
InChIInChI=1S/C16H28N2O3/c1-3-12-7-8-17-14(10-12)16(20)18-9-5-4-6-13(18)11-15(19)21-2/h12-14,17H,3-11H2,1-2H3
InChIKeyQSPWJKXNYHCXNI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds4

About methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate (PubChem CID 114428609) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate
PubChem CID114428609
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate
SMILESCCC1CCNC(C(=O)N2CCCCC2CC(=O)OC)C1
InChIInChI=1S/C16H28N2O3/c1-3-12-7-8-17-14(10-12)16(20)18-9-5-4-6-13(18)11-15(19)21-2/h12-14,17H,3-11H2,1-2H3
InChIKeyQSPWJKXNYHCXNI-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114429600
methyl 1-(4-ethylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114428408
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate
CID 54899857
methyl 2-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-2-yl]acetate
CID 61010521
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
methyl 2-[1-(2-aminocyclopentanecarbonyl)piperidin-2-yl]acetate
CID 64823425

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate (CID 114428609) is methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate is CCC1CCNC(C(=O)N2CCCCC2CC(=O)OC)C1.
What is the InChIKey of methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate?
The InChIKey is QSPWJKXNYHCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-12-7-8-17-14(10-12)16(20)18-9-5-4-6-13(18)11-15(19)21-2/h12-14,17H,3-11H2,1-2H3.
What are the key properties of methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate has a molecular weight of 296.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 114428609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).