2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid

C22H25N3O4 — CID 22740925

IUPAC2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid
SMILESCC(C1CCCCN1)n1c2cccc(OCC(=O)O)c2c2c(C(N)=O)cccc21
InChIInChI=1S/C22H25N3O4/c1-13(15-7-2-3-11-24-15)25-16-8-4-6-14(22(23)28)20(16)21-17(25)9-5-10-18(21)29-12-19(26)27/h4-6,8-10,13,15,24H,2-3,7,11-12H2,1H3,(H2,23,28)(H,26,27)
InChIKeyGJFNPENSHRIAJP-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.06
Rot. Bonds6

About 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid

2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid (PubChem CID 22740925) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid
PubChem CID22740925
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid
SMILESCC(C1CCCCN1)n1c2cccc(OCC(=O)O)c2c2c(C(N)=O)cccc21
InChIInChI=1S/C22H25N3O4/c1-13(15-7-2-3-11-24-15)25-16-8-4-6-14(22(23)28)20(16)21-17(25)9-5-10-18(21)29-12-19(26)27/h4-6,8-10,13,15,24H,2-3,7,11-12H2,1H3,(H2,23,28)(H,26,27)
InChIKeyGJFNPENSHRIAJP-UHFFFAOYSA-N
XLogP3.06
TPSA106.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid (CID 22740925) is 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid is CC(C1CCCCN1)n1c2cccc(OCC(=O)O)c2c2c(C(N)=O)cccc21.
What is the InChIKey of 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid?
The InChIKey is GJFNPENSHRIAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-13(15-7-2-3-11-24-15)25-16-8-4-6-14(22(23)28)20(16)21-17(25)9-5-10-18(21)29-12-19(26)27/h4-6,8-10,13,15,24H,2-3,7,11-12H2,1H3,(H2,23,28)(H,26,27).
What are the key properties of 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid?
2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid has a molecular weight of 395.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-9-(1-piperidin-2-ylethyl)carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 22740925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).