1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide

C15H27N3O2 — CID 110196285

IUPAC1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NCCN1CCCCC1
InChIInChI=1S/C15H27N3O2/c1-17-13(7-3-4-8-14(17)19)15(20)16-9-12-18-10-5-2-6-11-18/h13H,2-12H2,1H3,(H,16,20)
InChIKeyHVOFUDXDXDRWJC-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.99
Rot. Bonds4

About 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide

1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide (PubChem CID 110196285) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide.

Molecular Properties

Compound Name1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
PubChem CID110196285
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NCCN1CCCCC1
InChIInChI=1S/C15H27N3O2/c1-17-13(7-3-4-8-14(17)19)15(20)16-9-12-18-10-5-2-6-11-18/h13H,2-12H2,1H3,(H,16,20)
InChIKeyHVOFUDXDXDRWJC-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide?
The IUPAC name of 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide (CID 110196285) is 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide.
What is the SMILES notation for 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide?
The canonical SMILES for 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide is CN1C(=O)CCCCC1C(=O)NCCN1CCCCC1.
What is the InChIKey of 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide?
The InChIKey is HVOFUDXDXDRWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-17-13(7-3-4-8-14(17)19)15(20)16-9-12-18-10-5-2-6-11-18/h13H,2-12H2,1H3,(H,16,20).
What are the key properties of 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide?
1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide is sourced from PubChem (CID 110196285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).