[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate

C19H29NO4 — CID 98313870

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
SMILESCC1CCN(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1
InChIInChI=1S/C19H29NO4/c1-13-2-4-20(5-3-13)16(21)11-24-17(22)18-7-14-6-15(8-18)10-19(23,9-14)12-18/h13-15,23H,2-12H2,1H3/t14-,15-,18?,19?/m1/s1
InChIKeyHDAGKIKJPZASOW-QAQJPARQSA-N
MW335.44 g/mol
LogP2.12
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate (PubChem CID 98313870) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
PubChem CID98313870
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
SMILESCC1CCN(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1
InChIInChI=1S/C19H29NO4/c1-13-2-4-20(5-3-13)16(21)11-24-17(22)18-7-14-6-15(8-18)10-19(23,9-14)12-18/h13-15,23H,2-12H2,1H3/t14-,15-,18?,19?/m1/s1
InChIKeyHDAGKIKJPZASOW-QAQJPARQSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate with MolForge

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Related Compounds

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 22489777
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate
CID 74030455
ethyl 1-[2-(adamantane-1-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 5083374
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 55319161
[2-(1-adamantylamino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 18532833
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7470444
(3-amino-3-oxopropyl) 3-hydroxyadamantane-1-carboxylate
CID 18283851
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-hydroxyadamantane-1-carboxylate
CID 3908266
[2-(3-methylbutylamino)-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 22489736
2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
CID 83967675
[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 21268393
[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 4543424

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate (CID 98313870) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate is CC1CCN(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate?
The InChIKey is HDAGKIKJPZASOW-QAQJPARQSA-N. The full InChI is InChI=1S/C19H29NO4/c1-13-2-4-20(5-3-13)16(21)11-24-17(22)18-7-14-6-15(8-18)10-19(23,9-14)12-18/h13-15,23H,2-12H2,1H3/t14-,15-,18?,19?/m1/s1.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate has a molecular weight of 335.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 98313870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).