ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate

C21H34N2O3 — CID 47013745

IUPACethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H34N2O3/c1-3-26-20(25)23-6-4-18(5-7-23)19(24)22(2)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,3-14H2,1-2H3
InChIKeySLWCADPAOVOVBV-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.53
Rot. Bonds4

About ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate

ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 47013745) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
PubChem CID47013745
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Nameethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H34N2O3/c1-3-26-20(25)23-6-4-18(5-7-23)19(24)22(2)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,3-14H2,1-2H3
InChIKeySLWCADPAOVOVBV-UHFFFAOYSA-N
XLogP3.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate (CID 47013745) is ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is SLWCADPAOVOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-3-26-20(25)23-6-4-18(5-7-23)19(24)22(2)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18H,3-14H2,1-2H3.
What are the key properties of ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate?
ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 362.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 47013745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).