cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone

C16H28N2O2 — CID 110197173

IUPACcyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)C2CCCC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-18(14-7-9-20-10-8-14)15-11-17(12-15)16(19)13-5-3-4-6-13/h13-15H,2-12H2,1H3
InChIKeyJKRBCWNDQZKSJW-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.89
Rot. Bonds4

About cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone

cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone (PubChem CID 110197173) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone
PubChem CID110197173
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namecyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)C2CCCC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-18(14-7-9-20-10-8-14)15-11-17(12-15)16(19)13-5-3-4-6-13/h13-15H,2-12H2,1H3
InChIKeyJKRBCWNDQZKSJW-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone
CID 110197170
N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide
CID 110197187
[3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 172909026
cyclohexyl-[4-[oxan-4-yl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methanone
CID 91916226
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
cyclopentyl-[3-(oxolan-3-ylmethoxy)azetidin-1-yl]methanone
CID 134160596
3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl(oxan-4-yl)methanone
CID 91472362
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
CID 78919120
oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 121018948
cyclopentyl-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 71999144
cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone
CID 70909624
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone (CID 110197173) is cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone is CCN(C1CCOCC1)C1CN(C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone?
The InChIKey is JKRBCWNDQZKSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-18(14-7-9-20-10-8-14)15-11-17(12-15)16(19)13-5-3-4-6-13/h13-15H,2-12H2,1H3.
What are the key properties of cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone?
cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone has a molecular weight of 280.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone is sourced from PubChem (CID 110197173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).