2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid

C14H16ClFN2O3 — CID 61194799

IUPAC2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O3/c15-11-7-9(4-5-12(11)16)17-14(21)18-6-2-1-3-10(18)8-13(19)20/h4-5,7,10H,1-3,6,8H2,(H,17,21)(H,19,20)
InChIKeyJAQKRIZETBZPMO-UHFFFAOYSA-N
MW314.74 g/mol
LogP3.34
Rot. Bonds3

About 2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61194799) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is 2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61194799
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O3/c15-11-7-9(4-5-12(11)16)17-14(21)18-6-2-1-3-10(18)8-13(19)20/h4-5,7,10H,1-3,6,8H2,(H,17,21)(H,19,20)
InChIKeyJAQKRIZETBZPMO-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95715007
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114840396
N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
CID 79537750
2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61182627
2-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61181332
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
2-[1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369992

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61194799) is 2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is JAQKRIZETBZPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c15-11-7-9(4-5-12(11)16)17-14(21)18-6-2-1-3-10(18)8-13(19)20/h4-5,7,10H,1-3,6,8H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 314.74 g/mol, XLogP of 3.34, 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-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61194799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).