1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one

C18H25N3O2 — CID 45226513

IUPAC1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c22-17-10-4-5-11-21(17)14-18(23)20-12-6-9-16(13-20)19-15-7-2-1-3-8-15/h1-3,7-8,16,19H,4-6,9-14H2
InChIKeyHWVXSIXTUJFXMK-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one

1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 45226513) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one
PubChem CID45226513
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c22-17-10-4-5-11-21(17)14-18(23)20-12-6-9-16(13-20)19-15-7-2-1-3-8-15/h1-3,7-8,16,19H,4-6,9-14H2
InChIKeyHWVXSIXTUJFXMK-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one (CID 45226513) is 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one is O=C1CCCCN1CC(=O)N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is HWVXSIXTUJFXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-10-4-5-11-21(17)14-18(23)20-12-6-9-16(13-20)19-15-7-2-1-3-8-15/h1-3,7-8,16,19H,4-6,9-14H2.
What are the key properties of 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-anilinopiperidin-1-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 45226513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).