9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H25N3O3 — CID 97471454

IUPAC9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2
InChIInChI=1S/C19H25N3O3/c23-17(10-15-3-4-15)21-8-5-19(6-9-21)14-22(18(24)13-25-19)12-16-2-1-7-20-11-16/h1-2,7,11,15H,3-6,8-10,12-14H2
InChIKeyWEMOCZUXONTHKB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.60
Rot. Bonds4

About 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471454) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471454
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2
InChIInChI=1S/C19H25N3O3/c23-17(10-15-3-4-15)21-8-5-19(6-9-21)14-22(18(24)13-25-19)12-16-2-1-7-20-11-16/h1-2,7,11,15H,3-6,8-10,12-14H2
InChIKeyWEMOCZUXONTHKB-UHFFFAOYSA-N
XLogP1.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471454) is 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C(CC1CC1)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2.
What is the InChIKey of 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WEMOCZUXONTHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(10-15-3-4-15)21-8-5-19(6-9-21)14-22(18(24)13-25-19)12-16-2-1-7-20-11-16/h1-2,7,11,15H,3-6,8-10,12-14H2.
What are the key properties of 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 343.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopropylacetyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).