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

C14H17FN2O3 — CID 78924438

IUPACmethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O3/c1-20-13(18)10-4-3-7-17(9-10)14(19)16-12-6-2-5-11(15)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,16,19)
InChIKeyJWERQTBPHLYWNM-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.24
Rot. Bonds2

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

methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate (PubChem CID 78924438) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
PubChem CID78924438
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namemethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O3/c1-20-13(18)10-4-3-7-17(9-10)14(19)16-12-6-2-5-11(15)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,16,19)
InChIKeyJWERQTBPHLYWNM-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
methyl (3R)-1-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]carbamoyl]piperidine-3-carboxylate
CID 100866593
methyl (3S)-1-[[2-(3-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylate
CID 129470928

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate (CID 78924438) is methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is JWERQTBPHLYWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-13(18)10-4-3-7-17(9-10)14(19)16-12-6-2-5-11(15)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,16,19).
What are the key properties of methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate?
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 280.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 78924438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).