methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate

C18H19FN2O4 — CID 125139865

IUPACmethyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1
InChIInChI=1S/C18H19FN2O4/c1-24-17(22)13-4-2-8-21(11-13)18(23)20-15-7-6-12(10-14(15)19)16-5-3-9-25-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyGKHPWMHOYFXHCM-ZDUSSCGKSA-N
MW346.36 g/mol
LogP3.50
Rot. Bonds3

About methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate

methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate (PubChem CID 125139865) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate
PubChem CID125139865
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Namemethyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1
InChIInChI=1S/C18H19FN2O4/c1-24-17(22)13-4-2-8-21(11-13)18(23)20-15-7-6-12(10-14(15)19)16-5-3-9-25-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyGKHPWMHOYFXHCM-ZDUSSCGKSA-N
XLogP3.50
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
N-[2-fluoro-5-(furan-2-yl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 111475551
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
methyl (3R)-1-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]carbamoyl]piperidine-3-carboxylate
CID 100866593
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687
(3R)-N-[4-(furan-2-yl)phenyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxamide
CID 42348707
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
CID 166408328
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate (CID 125139865) is methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1.
What is the InChIKey of methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate?
The InChIKey is GKHPWMHOYFXHCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-17(22)13-4-2-8-21(11-13)18(23)20-15-7-6-12(10-14(15)19)16-5-3-9-25-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate?
methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate has a molecular weight of 346.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 125139865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).