1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C18H24FN3O4 — CID 122102256

IUPAC1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1
InChIInChI=1S/C18H24FN3O4/c1-12-6-13(17(23)24)11-22(10-12)18(25)20-15-7-14(19)8-16(9-15)21-2-4-26-5-3-21/h7-9,12-13H,2-6,10-11H2,1H3,(H,20,25)(H,23,24)
InChIKeyBIXULQQQPHDZTH-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.24
Rot. Bonds3

About 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102256) has the molecular formula C18H24FN3O4 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102256
Molecular FormulaC18H24FN3O4
Molecular Weight365.41 g/mol
Exact Mass365.18
IUPAC Name1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1
InChIInChI=1S/C18H24FN3O4/c1-12-6-13(17(23)24)11-22(10-12)18(25)20-15-7-14(19)8-16(9-15)21-2-4-26-5-3-21/h7-9,12-13H,2-6,10-11H2,1H3,(H,20,25)(H,23,24)
InChIKeyBIXULQQQPHDZTH-UHFFFAOYSA-N
XLogP2.24
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102384
5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103044
5-methyl-1-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122102923
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 129403478
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101998
1-[(4-cyano-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103154

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102256) is 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1.
What is the InChIKey of 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is BIXULQQQPHDZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O4/c1-12-6-13(17(23)24)11-22(10-12)18(25)20-15-7-14(19)8-16(9-15)21-2-4-26-5-3-21/h7-9,12-13H,2-6,10-11H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 365.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).