2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C23H27N3O3 — CID 33214961

IUPAC2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESO=C(CN1CCC(C(=O)c2ccccc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H27N3O3/c27-21(19-14-20(24-15-19)23(29)26-10-4-5-11-26)16-25-12-8-18(9-13-25)22(28)17-6-2-1-3-7-17/h1-3,6-7,14-15,18,24H,4-5,8-13,16H2
InChIKeyUZRLKARNILKDAO-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.03
Rot. Bonds6

About 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 33214961) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID33214961
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESO=C(CN1CCC(C(=O)c2ccccc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H27N3O3/c27-21(19-14-20(24-15-19)23(29)26-10-4-5-11-26)16-25-12-8-18(9-13-25)22(28)17-6-2-1-3-7-17/h1-3,6-7,14-15,18,24H,4-5,8-13,16H2
InChIKeyUZRLKARNILKDAO-UHFFFAOYSA-N
XLogP3.03
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 33214961) is 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is O=C(CN1CCC(C(=O)c2ccccc2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is UZRLKARNILKDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21(19-14-20(24-15-19)23(29)26-10-4-5-11-26)16-25-12-8-18(9-13-25)22(28)17-6-2-1-3-7-17/h1-3,6-7,14-15,18,24H,4-5,8-13,16H2.
What are the key properties of 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 393.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidin-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 33214961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).