[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid

C14H16ClFN2O3 — CID 156534188

IUPAC[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H16ClFN2O3/c15-11-2-1-3-12(16)10(11)8-13(19)18-6-4-9(5-7-18)17-14(20)21/h1-3,9,17H,4-8H2,(H,20,21)
InChIKeyPJUVLJPNZPXMLN-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.28
Rot. Bonds3

About [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid

[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid (PubChem CID 156534188) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid
PubChem CID156534188
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H16ClFN2O3/c15-11-2-1-3-12(16)10(11)8-13(19)18-6-4-9(5-7-18)17-14(20)21/h1-3,9,17H,4-8H2,(H,20,21)
InChIKeyPJUVLJPNZPXMLN-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid (CID 156534188) is [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid?
The InChIKey is PJUVLJPNZPXMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c15-11-2-1-3-12(16)10(11)8-13(19)18-6-4-9(5-7-18)17-14(20)21/h1-3,9,17H,4-8H2,(H,20,21).
What are the key properties of [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid?
[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid has a molecular weight of 314.74 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 156534188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).