cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone

C17H30N2O2 — CID 131911447

IUPACcyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCCOC(CN2CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c20-17(15-7-2-3-8-15)19-11-6-12-21-16(14-19)13-18-9-4-1-5-10-18/h15-16H,1-14H2
InChIKeyOZYFBCBMKRWMCS-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.28
Rot. Bonds3

About cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone

cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone (PubChem CID 131911447) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
PubChem CID131911447
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Namecyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCCOC(CN2CCCCC2)C1
InChIInChI=1S/C17H30N2O2/c20-17(15-7-2-3-8-15)19-11-6-12-21-16(14-19)13-18-9-4-1-5-10-18/h15-16H,1-14H2
InChIKeyOZYFBCBMKRWMCS-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone (CID 131911447) is cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone is O=C(C1CCCC1)N1CCCOC(CN2CCCCC2)C1.
What is the InChIKey of cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The InChIKey is OZYFBCBMKRWMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-17(15-7-2-3-8-15)19-11-6-12-21-16(14-19)13-18-9-4-1-5-10-18/h15-16H,1-14H2.
What are the key properties of cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone?
cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone has a molecular weight of 294.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 131911447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).