2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide

C20H26N2O2 — CID 46424968

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C20H26N2O2/c23-19(12-16-11-14-7-8-15(16)10-14)21-17-4-3-5-18(13-17)22-9-2-1-6-20(22)24/h3-5,13-16H,1-2,6-12H2,(H,21,23)
InChIKeyDVJCPFBUAUPKQT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.97
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide (PubChem CID 46424968) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
PubChem CID46424968
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C20H26N2O2/c23-19(12-16-11-14-7-8-15(16)10-14)21-17-4-3-5-18(13-17)22-9-2-1-6-20(22)24/h3-5,13-16H,1-2,6-12H2,(H,21,23)
InChIKeyDVJCPFBUAUPKQT-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 71896073
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 119724522
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide
CID 98077490
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
2-(4-bromophenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46425011
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
CID 51213619
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4811761
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 11938722
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide (CID 46424968) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide is O=C(CC1CC2CCC1C2)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide?
The InChIKey is DVJCPFBUAUPKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(12-16-11-14-7-8-15(16)10-14)21-17-4-3-5-18(13-17)22-9-2-1-6-20(22)24/h3-5,13-16H,1-2,6-12H2,(H,21,23).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 46424968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).