1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone

C16H26N2O4 — CID 172884695

IUPAC1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
SMILESCC(=O)N1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2
InChIInChI=1S/C16H26N2O4/c1-13(19)17-7-4-9-21-16(11-17)12-18(8-10-22-16)15(20)14-5-2-3-6-14/h14H,2-12H2,1H3
InChIKeyQXNVEKSZMYMJEN-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.00
Rot. Bonds1

About 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone

1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone (PubChem CID 172884695) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
PubChem CID172884695
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
SMILESCC(=O)N1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2
InChIInChI=1S/C16H26N2O4/c1-13(19)17-7-4-9-21-16(11-17)12-18(8-10-22-16)15(20)14-5-2-3-6-14/h14H,2-12H2,1H3
InChIKeyQXNVEKSZMYMJEN-UHFFFAOYSA-N
XLogP1.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone?
The IUPAC name of 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone (CID 172884695) is 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone?
The canonical SMILES for 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone is CC(=O)N1CCCOC2(C1)CN(C(=O)C1CCCC1)CCO2.
What is the InChIKey of 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone?
The InChIKey is QXNVEKSZMYMJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-13(19)17-7-4-9-21-16(11-17)12-18(8-10-22-16)15(20)14-5-2-3-6-14/h14H,2-12H2,1H3.
What are the key properties of 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone?
1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone has a molecular weight of 310.39 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone is sourced from PubChem (CID 172884695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).