1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid

C15H19FN2O3 — CID 61200560

IUPAC1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1cccc(F)c1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H19FN2O3/c1-17(10-11-5-4-6-12(16)9-11)15(21)18-8-3-2-7-13(18)14(19)20/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,20)
InChIKeySLORHCCXZXIPFI-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.32
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid

1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 61200560) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID61200560
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1cccc(F)c1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H19FN2O3/c1-17(10-11-5-4-6-12(16)9-11)15(21)18-8-3-2-7-13(18)14(19)20/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,20)
InChIKeySLORHCCXZXIPFI-UHFFFAOYSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61416937
(2R)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922881
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61413418
(4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200290
tert-butyl (2R)-2-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167079
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741
2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 86908473
(2R)-1-[(4-chlorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922929
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid (CID 61200560) is 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid is CN(Cc1cccc(F)c1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is SLORHCCXZXIPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-17(10-11-5-4-6-12(16)9-11)15(21)18-8-3-2-7-13(18)14(19)20/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,20).
What are the key properties of 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid?
1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61200560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).