cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone

C16H28N2O2 — CID 110196397

IUPACcyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H28N2O2/c19-16(15-4-1-5-15)18-7-2-3-14(6-8-18)13-17-9-11-20-12-10-17/h14-15H,1-13H2
InChIKeyVXBUBPSAGRBVOM-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.75
Rot. Bonds3

About cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone

cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone (PubChem CID 110196397) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
PubChem CID110196397
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namecyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H28N2O2/c19-16(15-4-1-5-15)18-7-2-3-14(6-8-18)13-17-9-11-20-12-10-17/h14-15H,1-13H2
InChIKeyVXBUBPSAGRBVOM-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine, 4-(2-propylvaleryl)-
CID 200760
Cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 110196396
[(5AS,9AS)-1-(2-Methoxyethyl)octahydropyrido[3,4-E][1,4]oxazepin-8(1H)-YL](cyclobutyl)methanone
CID 110196093
Cyclopentyl-[2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 110196384
2-Methyl-1-[4-(morpholin-4-ylmethyl)azepan-1-yl]propan-1-one
CID 110196395
Cyclobutyl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096036
azepan-1-yl-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methanone
CID 95303067
9-(2-Methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one
CID 110196190
3,5-Dimethyl-1-morpholin-4-ylhexan-1-one
CID 53839133
2-Ethyl-1-morpholin-4-ylpentan-1-one
CID 57011863
(1-Ethylcyclobutyl)-morpholin-4-ylmethanone
CID 68248749
4-Methyl-1-morpholin-4-ylhexan-1-one
CID 88984212

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone (CID 110196397) is cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone is O=C(C1CCC1)N1CCCC(CN2CCOCC2)CC1.
What is the InChIKey of cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
The InChIKey is VXBUBPSAGRBVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-16(15-4-1-5-15)18-7-2-3-14(6-8-18)13-17-9-11-20-12-10-17/h14-15H,1-13H2.
What are the key properties of cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone has a molecular weight of 280.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone is sourced from PubChem (CID 110196397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).