1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone

C16H29N3O — CID 63163147

IUPAC1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone
SMILESO=C(CN1CCCNCC1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H29N3O/c20-15(14-18-10-3-8-17-9-13-18)19-11-6-16(7-12-19)4-1-2-5-16/h17H,1-14H2
InChIKeyATOAODWMLOSCCR-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.46
Rot. Bonds2

About 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone

1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone (PubChem CID 63163147) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone
PubChem CID63163147
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone
SMILESO=C(CN1CCCNCC1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H29N3O/c20-15(14-18-10-3-8-17-9-13-18)19-11-6-16(7-12-19)4-1-2-5-16/h17H,1-14H2
InChIKeyATOAODWMLOSCCR-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone?
The IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone (CID 63163147) is 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone is O=C(CN1CCCNCC1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone?
The InChIKey is ATOAODWMLOSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c20-15(14-18-10-3-8-17-9-13-18)19-11-6-16(7-12-19)4-1-2-5-16/h17H,1-14H2.
What are the key properties of 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone?
1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone has a molecular weight of 279.43 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-8-yl)-2-(1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 63163147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).