2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide

C20H23N3O2 — CID 75390361

IUPAC2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide
SMILESO=C(CN(Cc1ccccc1)c1ccccc1)NC1CCCNC1=O
InChIInChI=1S/C20H23N3O2/c24-19(22-18-12-7-13-21-20(18)25)15-23(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,21,25)(H,22,24)
InChIKeyPFRXGJGTMFWHRD-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.09
Rot. Bonds6

About 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide

2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide (PubChem CID 75390361) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide
PubChem CID75390361
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide
SMILESO=C(CN(Cc1ccccc1)c1ccccc1)NC1CCCNC1=O
InChIInChI=1S/C20H23N3O2/c24-19(22-18-12-7-13-21-20(18)25)15-23(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,21,25)(H,22,24)
InChIKeyPFRXGJGTMFWHRD-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide (CID 75390361) is 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide is O=C(CN(Cc1ccccc1)c1ccccc1)NC1CCCNC1=O.
What is the InChIKey of 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide?
The InChIKey is PFRXGJGTMFWHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(22-18-12-7-13-21-20(18)25)15-23(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,21,25)(H,22,24).
What are the key properties of 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide?
2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 75390361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).