8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C20H27N3O3 — CID 118744380

IUPAC8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CC(c2cccnc2)C12CCN(C(=O)C1CC1)CC2
InChIInChI=1S/C20H27N3O3/c1-26-12-11-23-18(24)13-17(16-3-2-8-21-14-16)20(23)6-9-22(10-7-20)19(25)15-4-5-15/h2-3,8,14-15,17H,4-7,9-13H2,1H3
InChIKeyBYHSJYVYYSHVEH-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.82
Rot. Bonds5

About 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118744380) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118744380
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CC(c2cccnc2)C12CCN(C(=O)C1CC1)CC2
InChIInChI=1S/C20H27N3O3/c1-26-12-11-23-18(24)13-17(16-3-2-8-21-14-16)20(23)6-9-22(10-7-20)19(25)15-4-5-15/h2-3,8,14-15,17H,4-7,9-13H2,1H3
InChIKeyBYHSJYVYYSHVEH-UHFFFAOYSA-N
XLogP1.82
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 118744380) is 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)CC(c2cccnc2)C12CCN(C(=O)C1CC1)CC2.
What is the InChIKey of 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BYHSJYVYYSHVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-26-12-11-23-18(24)13-17(16-3-2-8-21-14-16)20(23)6-9-22(10-7-20)19(25)15-4-5-15/h2-3,8,14-15,17H,4-7,9-13H2,1H3.
What are the key properties of 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 357.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropanecarbonyl)-1-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118744380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).