ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate

C16H21FN2O3 — CID 26241437

IUPACethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O3/c1-2-22-16(21)19-9-7-12(8-10-19)15(20)18-11-13-5-3-4-6-14(13)17/h3-6,12H,2,7-11H2,1H3,(H,18,20)
InChIKeyLYMSRPKZMJZHTK-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.31
Rot. Bonds4

About ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate

ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 26241437) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID26241437
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nameethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O3/c1-2-22-16(21)19-9-7-12(8-10-19)15(20)18-11-13-5-3-4-6-14(13)17/h3-6,12H,2,7-11H2,1H3,(H,18,20)
InChIKeyLYMSRPKZMJZHTK-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
ethyl 4-[[2-[(2-fluorophenyl)methylamino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531509
ethyl 4-[[3-[(2-fluorophenyl)methylamino]-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108946231
N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113004169
ethyl 4-[[3-[(2-fluorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108962409
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
ethyl 4-[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26393783
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 46470868
ethyl 4-[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109156537
ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 31011883

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate (CID 26241437) is ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is LYMSRPKZMJZHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-2-22-16(21)19-9-7-12(8-10-19)15(20)18-11-13-5-3-4-6-14(13)17/h3-6,12H,2,7-11H2,1H3,(H,18,20).
What are the key properties of ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate?
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 308.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 26241437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).