8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one

C17H29N3O2 — CID 97397056

IUPAC8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCN(C(=O)CC1CC1)CC2
InChIInChI=1S/C17H29N3O2/c1-18(2)11-12-20-15(21)5-6-17(20)7-9-19(10-8-17)16(22)13-14-3-4-14/h14H,3-13H2,1-2H3
InChIKeyVJCFPRLGPUNERP-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.33
Rot. Bonds5

About 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one

8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97397056) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97397056
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCN(C(=O)CC1CC1)CC2
InChIInChI=1S/C17H29N3O2/c1-18(2)11-12-20-15(21)5-6-17(20)7-9-19(10-8-17)16(22)13-14-3-4-14/h14H,3-13H2,1-2H3
InChIKeyVJCFPRLGPUNERP-UHFFFAOYSA-N
XLogP1.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97397056) is 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one is CN(C)CCN1C(=O)CCC12CCN(C(=O)CC1CC1)CC2.
What is the InChIKey of 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VJCFPRLGPUNERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-18(2)11-12-20-15(21)5-6-17(20)7-9-19(10-8-17)16(22)13-14-3-4-14/h14H,3-13H2,1-2H3.
What are the key properties of 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one?
8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 307.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropylacetyl)-1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).