ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate

C15H19FN2O3 — CID 44759797

IUPACethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O3/c1-2-21-14(19)11-5-4-8-18(10-11)15(20)17-13-7-3-6-12(16)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,17,20)
InChIKeyBYZPJAZCWFYDEG-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.63
Rot. Bonds3

About ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate

ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate (PubChem CID 44759797) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
PubChem CID44759797
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Nameethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O3/c1-2-21-14(19)11-5-4-8-18(10-11)15(20)17-13-7-3-6-12(16)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,17,20)
InChIKeyBYZPJAZCWFYDEG-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
ethyl 1-[(3-fluoro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3860710
ethyl 1-[N-ethyl-N'-[2-(3-fluoroanilino)-2-oxoethyl]carbamimidoyl]piperidine-3-carboxylate
CID 110993807
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
ethyl 1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3261941
ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 7943280
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylate
CID 3792100
ethyl 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]piperidine-3-carboxylate
CID 71086529
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
ethyl 1-[N-ethyl-N'-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]carbamimidoyl]piperidine-3-carboxylate
CID 110995161
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate (CID 44759797) is ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is BYZPJAZCWFYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-21-14(19)11-5-4-8-18(10-11)15(20)17-13-7-3-6-12(16)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,17,20).
What are the key properties of ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate?
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 44759797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).