4-[ethyl(piperidin-4-yl)amino]azepan-2-one

C13H25N3O — CID 63886911

IUPAC4-[ethyl(piperidin-4-yl)amino]azepan-2-one
SMILESCCN(C1CCNCC1)C1CCCNC(=O)C1
InChIInChI=1S/C13H25N3O/c1-2-16(11-5-8-14-9-6-11)12-4-3-7-15-13(17)10-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyXNCOZJMZSUZYKQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds3

About 4-[ethyl(piperidin-4-yl)amino]azepan-2-one

4-[ethyl(piperidin-4-yl)amino]azepan-2-one (PubChem CID 63886911) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[ethyl(piperidin-4-yl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[ethyl(piperidin-4-yl)amino]azepan-2-one
PubChem CID63886911
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[ethyl(piperidin-4-yl)amino]azepan-2-one
SMILESCCN(C1CCNCC1)C1CCCNC(=O)C1
InChIInChI=1S/C13H25N3O/c1-2-16(11-5-8-14-9-6-11)12-4-3-7-15-13(17)10-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyXNCOZJMZSUZYKQ-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one
CID 63889082
N-cyclohexyl-N-ethylazepan-4-amine
CID 63904813
4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one
CID 106639774
ethyl 2-[cyclopropyl-(2-oxoazepan-4-yl)amino]acetate
CID 63887111
4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one
CID 104554159
2-[ethyl(piperidin-4-yl)amino]cyclohexan-1-one
CID 62030320
N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
CID 56831616
N-cyclohexyl-N-ethylpyrrolidin-3-amine;hydrochloride
CID 156593457
4-[propyl(pyrrolidin-2-ylmethyl)amino]azepan-2-one
CID 106615853
4-[cyclohexyl(ethyl)amino]cyclohexan-1-one
CID 114761997
3-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 79642440
(4R)-4-methylazepan-2-one
CID 12689799

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(piperidin-4-yl)amino]azepan-2-one?
The IUPAC name of 4-[ethyl(piperidin-4-yl)amino]azepan-2-one (CID 63886911) is 4-[ethyl(piperidin-4-yl)amino]azepan-2-one.
What is the SMILES notation for 4-[ethyl(piperidin-4-yl)amino]azepan-2-one?
The canonical SMILES for 4-[ethyl(piperidin-4-yl)amino]azepan-2-one is CCN(C1CCNCC1)C1CCCNC(=O)C1.
What is the InChIKey of 4-[ethyl(piperidin-4-yl)amino]azepan-2-one?
The InChIKey is XNCOZJMZSUZYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-16(11-5-8-14-9-6-11)12-4-3-7-15-13(17)10-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 4-[ethyl(piperidin-4-yl)amino]azepan-2-one?
4-[ethyl(piperidin-4-yl)amino]azepan-2-one has a molecular weight of 239.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(piperidin-4-yl)amino]azepan-2-one is sourced from PubChem (CID 63886911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).