2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

C24H29N3O2 — CID 9069280

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C24H29N3O2/c28-23-13-8-16-27(23)22-12-5-4-11-21(22)24(29)25-17-19-9-2-3-10-20(19)18-26-14-6-1-7-15-26/h2-5,9-12H,1,6-8,13-18H2,(H,25,29)
InChIKeyDCTVPBXJXXWEAS-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.73
Rot. Bonds6

About 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9069280) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID9069280
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C24H29N3O2/c28-23-13-8-16-27(23)22-12-5-4-11-21(22)24(29)25-17-19-9-2-3-10-20(19)18-26-14-6-1-7-15-26/h2-5,9-12H,1,6-8,13-18H2,(H,25,29)
InChIKeyDCTVPBXJXXWEAS-UHFFFAOYSA-N
XLogP3.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (CID 9069280) is 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is DCTVPBXJXXWEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23-13-8-16-27(23)22-12-5-4-11-21(22)24(29)25-17-19-9-2-3-10-20(19)18-26-14-6-1-7-15-26/h2-5,9-12H,1,6-8,13-18H2,(H,25,29).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 391.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9069280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).