N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide

C16H23N3O2 — CID 27348

IUPACN-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NCCN2CCCCC2)c(=O)cc1
InChIInChI=1S/C16H23N3O2/c1-13(20)18-14-5-7-15(16(21)8-6-14)17-9-12-19-10-3-2-4-11-19/h5-8H,2-4,9-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyWMTZJNDPQRKXJU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.90
Rot. Bonds5

About N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide

N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide (PubChem CID 27348) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide
PubChem CID27348
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NCCN2CCCCC2)c(=O)cc1
InChIInChI=1S/C16H23N3O2/c1-13(20)18-14-5-7-15(16(21)8-6-14)17-9-12-19-10-3-2-4-11-19/h5-8H,2-4,9-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyWMTZJNDPQRKXJU-UHFFFAOYSA-N
XLogP1.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide?
The IUPAC name of N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide (CID 27348) is N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide.
What is the SMILES notation for N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide?
The canonical SMILES for N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide is CC(=O)Nc1ccc(NCCN2CCCCC2)c(=O)cc1.
What is the InChIKey of N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide?
The InChIKey is WMTZJNDPQRKXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(20)18-14-5-7-15(16(21)8-6-14)17-9-12-19-10-3-2-4-11-19/h5-8H,2-4,9-12H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide?
N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide is sourced from PubChem (CID 27348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).