2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate

C11H19FN2O3 — CID 163488198

IUPAC2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(F)(C(N)=O)CC1
InChIInChI=1S/C11H19FN2O3/c1-8(2)7-17-10(16)14-5-3-11(12,4-6-14)9(13)15/h8H,3-7H2,1-2H3,(H2,13,15)
InChIKeyCKIVZKQTFHCLBB-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.07
Rot. Bonds3

About 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate

2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate (PubChem CID 163488198) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate
PubChem CID163488198
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC Name2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(F)(C(N)=O)CC1
InChIInChI=1S/C11H19FN2O3/c1-8(2)7-17-10(16)14-5-3-11(12,4-6-14)9(13)15/h8H,3-7H2,1-2H3,(H2,13,15)
InChIKeyCKIVZKQTFHCLBB-UHFFFAOYSA-N
XLogP1.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-Butoxycarbonyl)piperidine-4-carboxamide
CID 2735646
Ethyl 4-carbamoylpiperidine-1-carboxylate
CID 3242068
Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 2757240
2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate
CID 9115251
Ethyl 4-(aminocarbonyl)-1,4'-bipiperidine-1'-carboxylate
CID 26458355
Tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate
CID 3365779
Tert-butyl 4-carbamoyl-4-(trifluoromethyl)piperidine-1-carboxylate
CID 17983183
Tert-butyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate
CID 46942209
Ethyl 3-fluoro-4-(methylaminomethyl)piperidine-1-carboxylate
CID 57845341
Ethyl 4-(aminomethyl)-3-fluoropiperidine-1-carboxylate
CID 57845349
Ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate
CID 58282570
2-Fluoroethyl 4-methylpiperidine-1-carboxylate
CID 59777164

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate (CID 163488198) is 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate is CC(C)COC(=O)N1CCC(F)(C(N)=O)CC1.
What is the InChIKey of 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate?
The InChIKey is CKIVZKQTFHCLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3/c1-8(2)7-17-10(16)14-5-3-11(12,4-6-14)9(13)15/h8H,3-7H2,1-2H3,(H2,13,15).
What are the key properties of 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate?
2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate has a molecular weight of 246.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 163488198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).