4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

C25H31N3O2 — CID 24516619

IUPAC4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C25H31N3O2/c29-24-10-4-7-17-28(24)23-13-11-20(12-14-23)25(30)26-18-21-8-2-3-9-22(21)19-27-15-5-1-6-16-27/h2-3,8-9,11-14H,1,4-7,10,15-19H2,(H,26,30)
InChIKeyLOULOBKFMOSGLO-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.12
Rot. Bonds6

About 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 24516619) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID24516619
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1CN1CCCCC1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C25H31N3O2/c29-24-10-4-7-17-28(24)23-13-11-20(12-14-23)25(30)26-18-21-8-2-3-9-22(21)19-27-15-5-1-6-16-27/h2-3,8-9,11-14H,1,4-7,10,15-19H2,(H,26,30)
InChIKeyLOULOBKFMOSGLO-UHFFFAOYSA-N
XLogP4.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32604555
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9073524
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8969533
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 9069207
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9398987
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490231

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (CID 24516619) is 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1CN1CCCCC1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is LOULOBKFMOSGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24-10-4-7-17-28(24)23-13-11-20(12-14-23)25(30)26-18-21-8-2-3-9-22(21)19-27-15-5-1-6-16-27/h2-3,8-9,11-14H,1,4-7,10,15-19H2,(H,26,30).
What are the key properties of 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 405.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24516619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).