cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C18H32N2O3 — CID 172884671

IUPACcyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESCC(C)CN1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2
InChIInChI=1S/C18H32N2O3/c1-15(2)12-19-8-5-10-22-18(13-19)14-20(9-11-23-18)17(21)16-6-3-4-7-16/h15-16H,3-14H2,1-2H3
InChIKeyQABWGSXKISVXQN-UHFFFAOYSA-N
MW324.46 g/mol
LogP2.11
Rot. Bonds3

About cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 172884671) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
PubChem CID172884671
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Namecyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESCC(C)CN1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2
InChIInChI=1S/C18H32N2O3/c1-15(2)12-19-8-5-10-22-18(13-19)14-20(9-11-23-18)17(21)16-6-3-4-7-16/h15-16H,3-14H2,1-2H3
InChIKeyQABWGSXKISVXQN-UHFFFAOYSA-N
XLogP2.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The IUPAC name of cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 172884671) is cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The canonical SMILES for cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is CC(C)CN1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2.
What is the InChIKey of cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The InChIKey is QABWGSXKISVXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-15(2)12-19-8-5-10-22-18(13-19)14-20(9-11-23-18)17(21)16-6-3-4-7-16/h15-16H,3-14H2,1-2H3.
What are the key properties of cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 324.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[8-(2-methylpropyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 172884671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).