[1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid

C14H16ClFN2O4 — CID 138678436

IUPAC[1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C14H16ClFN2O4/c15-11-2-1-10(7-12(11)16)22-8-13(19)18-5-3-9(4-6-18)17-14(20)21/h1-2,7,9,17H,3-6,8H2,(H,20,21)
InChIKeyXGUXJMPLHVNJLK-UHFFFAOYSA-N
MW330.74 g/mol
LogP2.12
Rot. Bonds4

About [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid

[1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid (PubChem CID 138678436) has the molecular formula C14H16ClFN2O4 and a molecular weight of 330.74 g/mol. Its IUPAC name is [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid
PubChem CID138678436
Molecular FormulaC14H16ClFN2O4
Molecular Weight330.74 g/mol
Exact Mass330.08
IUPAC Name[1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C14H16ClFN2O4/c15-11-2-1-10(7-12(11)16)22-8-13(19)18-5-3-9(4-6-18)17-14(20)21/h1-2,7,9,17H,3-6,8H2,(H,20,21)
InChIKeyXGUXJMPLHVNJLK-UHFFFAOYSA-N
XLogP2.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide
CID 1011240
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
2-(4-Chloro-phenoxy)-1-(4-cyclopentyl-piperazin-1-yl)-ethanone
CID 17369419
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
2-(4-chlorophenoxy)-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 835819
4-{1-[(4-Chlorophenoxy)acetyl]-4-piperidinyl}-2,6-dimethylmorpholine oxalate
CID 2913008
2-(4-chlorophenoxy)-N-(2-piperidin-1-ylethyl)acetamide
CID 2145527
[2-(Cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521201
2-(4-chlorophenoxy)-N-cyclopropylacetamide
CID 2899705
2-(4-Chlorophenoxy)-1-(piperazin-1-yl)ethanone
CID 1074760
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]piperidin-1-yl]acetamide
CID 146457883

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid (CID 138678436) is [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(C(=O)COc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid?
The InChIKey is XGUXJMPLHVNJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O4/c15-11-2-1-10(7-12(11)16)22-8-13(19)18-5-3-9(4-6-18)17-14(20)21/h1-2,7,9,17H,3-6,8H2,(H,20,21).
What are the key properties of [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid?
[1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid has a molecular weight of 330.74 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chloro-3-fluorophenoxy)acetyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 138678436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).