2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone

C23H26ClN3O3 — CID 91913904

IUPAC2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C23H26ClN3O3/c24-18-7-4-6-17(14-18)15-21(28)27-13-9-19(16-27)30-22-20(8-5-10-25-22)23(29)26-11-2-1-3-12-26/h4-8,10,14,19H,1-3,9,11-13,15-16H2
InChIKeyROBOBERVXAXKBC-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.58
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone (PubChem CID 91913904) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
PubChem CID91913904
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C23H26ClN3O3/c24-18-7-4-6-17(14-18)15-21(28)27-13-9-19(16-27)30-22-20(8-5-10-25-22)23(29)26-11-2-1-3-12-26/h4-8,10,14,19H,1-3,9,11-13,15-16H2
InChIKeyROBOBERVXAXKBC-UHFFFAOYSA-N
XLogP3.58
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone (CID 91913904) is 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone?
The InChIKey is ROBOBERVXAXKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-18-7-4-6-17(14-18)15-21(28)27-13-9-19(16-27)30-22-20(8-5-10-25-22)23(29)26-11-2-1-3-12-26/h4-8,10,14,19H,1-3,9,11-13,15-16H2.
What are the key properties of 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone has a molecular weight of 427.93 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91913904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).