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

C15H27N3O2 — CID 110196345

IUPAC2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
SMILESCC1(C(=O)NCCN2CCCCC2)CCCCC(=O)N1
InChIInChI=1S/C15H27N3O2/c1-15(8-4-3-7-13(19)17-15)14(20)16-9-12-18-10-5-2-6-11-18/h2-12H2,1H3,(H,16,20)(H,17,19)
InChIKeyCVARNZXTVARCTM-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.04
Rot. Bonds4

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

2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide (PubChem CID 110196345) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
PubChem CID110196345
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide
SMILESCC1(C(=O)NCCN2CCCCC2)CCCCC(=O)N1
InChIInChI=1S/C15H27N3O2/c1-15(8-4-3-7-13(19)17-15)14(20)16-9-12-18-10-5-2-6-11-18/h2-12H2,1H3,(H,16,20)(H,17,19)
InChIKeyCVARNZXTVARCTM-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide?
The IUPAC name of 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide (CID 110196345) is 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide.
What is the SMILES notation for 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide?
The canonical SMILES for 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide is CC1(C(=O)NCCN2CCCCC2)CCCCC(=O)N1.
What is the InChIKey of 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide?
The InChIKey is CVARNZXTVARCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(8-4-3-7-13(19)17-15)14(20)16-9-12-18-10-5-2-6-11-18/h2-12H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide?
2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)azepane-2-carboxamide is sourced from PubChem (CID 110196345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).