2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid

C14H16ClFN2O3 — CID 107368637

IUPAC2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C14H16ClFN2O3/c15-10-5-11(16)7-12(6-10)17-14(21)18-3-1-2-9(8-18)4-13(19)20/h5-7,9H,1-4,8H2,(H,17,21)(H,19,20)
InChIKeyDHWCLKMIZKAREC-UHFFFAOYSA-N
MW314.74 g/mol
LogP3.20
Rot. Bonds3

About 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid

2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 107368637) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
PubChem CID107368637
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C14H16ClFN2O3/c15-10-5-11(16)7-12(6-10)17-14(21)18-3-1-2-9(8-18)4-13(19)20/h5-7,9H,1-4,8H2,(H,17,21)(H,19,20)
InChIKeyDHWCLKMIZKAREC-UHFFFAOYSA-N
XLogP3.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
2-[1-[(2-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691149
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
2-[1-[(4-bromo-2-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691337
tert-butyl 3-[(3-chloro-5-fluoroanilino)methyl]piperidine-1-carboxylate
CID 107364244
N-(3,5-dichlorophenyl)-3-sulfamoylpiperidine-1-carboxamide
CID 103858615
3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 107654152

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid (CID 107368637) is 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is DHWCLKMIZKAREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c15-10-5-11(16)7-12(6-10)17-14(21)18-3-1-2-9(8-18)4-13(19)20/h5-7,9H,1-4,8H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 314.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 107368637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).