1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate

C20H30FNO3 — CID 118531082

IUPAC1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate
SMILESCC(F)C(=O)N1CCC(C(=O)OCC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H30FNO3/c1-13(21)18(23)22-4-2-17(3-5-22)19(24)25-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h13-17H,2-12H2,1H3
InChIKeyUXRPRXHOTMSTIE-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.34
Rot. Bonds4

About 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate

1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate (PubChem CID 118531082) has the molecular formula C20H30FNO3 and a molecular weight of 351.46 g/mol. Its IUPAC name is 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate
PubChem CID118531082
Molecular FormulaC20H30FNO3
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate
SMILESCC(F)C(=O)N1CCC(C(=O)OCC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H30FNO3/c1-13(21)18(23)22-4-2-17(3-5-22)19(24)25-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h13-17H,2-12H2,1H3
InChIKeyUXRPRXHOTMSTIE-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate?
The IUPAC name of 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate (CID 118531082) is 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate?
The canonical SMILES for 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate is CC(F)C(=O)N1CCC(C(=O)OCC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate?
The InChIKey is UXRPRXHOTMSTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO3/c1-13(21)18(23)22-4-2-17(3-5-22)19(24)25-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h13-17H,2-12H2,1H3.
What are the key properties of 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate?
1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate has a molecular weight of 351.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethyl 1-(2-fluoropropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 118531082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).