ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate

C18H32N2O3 — CID 78787403

IUPACethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-2-23-18(22)15-9-8-12-20(13-15)14-17(21)19-16-10-6-4-3-5-7-11-16/h15-16H,2-14H2,1H3,(H,19,21)
InChIKeyXUXREVFXTHEWLV-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.49
Rot. Bonds5

About ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate

ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 78787403) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID78787403
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nameethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-2-23-18(22)15-9-8-12-20(13-15)14-17(21)19-16-10-6-4-3-5-7-11-16/h15-16H,2-14H2,1H3,(H,19,21)
InChIKeyXUXREVFXTHEWLV-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55409239
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl (3S)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-3-carboxylate
CID 81339260
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753
ethyl 1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxylate
CID 44827929
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 46650338
ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8560503

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate (CID 78787403) is ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)NC2CCCCCCC2)C1.
What is the InChIKey of ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is XUXREVFXTHEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-2-23-18(22)15-9-8-12-20(13-15)14-17(21)19-16-10-6-4-3-5-7-11-16/h15-16H,2-14H2,1H3,(H,19,21).
What are the key properties of ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate?
ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 78787403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).