2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide

C21H28N2O3 — CID 71896073

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)CC2CC3CCC2C3)cc1N1CCCCC1=O
InChIInChI=1S/C21H28N2O3/c1-26-19-8-7-17(13-18(19)23-9-3-2-4-21(23)25)22-20(24)12-16-11-14-5-6-15(16)10-14/h7-8,13-16H,2-6,9-12H2,1H3,(H,22,24)
InChIKeyQETVSPSQQPBOKN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.98
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide (PubChem CID 71896073) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
PubChem CID71896073
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(NC(=O)CC2CC3CCC2C3)cc1N1CCCCC1=O
InChIInChI=1S/C21H28N2O3/c1-26-19-8-7-17(13-18(19)23-9-3-2-4-21(23)25)22-20(24)12-16-11-14-5-6-15(16)10-14/h7-8,13-16H,2-6,9-12H2,1H3,(H,22,24)
InChIKeyQETVSPSQQPBOKN-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46424968
1-(2-adamantyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112829527
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 134050966
2-(3,4-dihydro-2H-chromen-4-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 126786026
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119724563
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 11914594
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6599122
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 119724562
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide
CID 119724590

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide (CID 71896073) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide is COc1ccc(NC(=O)CC2CC3CCC2C3)cc1N1CCCCC1=O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide?
The InChIKey is QETVSPSQQPBOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-26-19-8-7-17(13-18(19)23-9-3-2-4-21(23)25)22-20(24)12-16-11-14-5-6-15(16)10-14/h7-8,13-16H,2-6,9-12H2,1H3,(H,22,24).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 71896073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).