2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

C17H24N4O2 — CID 97450997

IUPAC2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C17H24N4O2/c22-15(12-14-2-3-14)20-8-4-17(5-9-20)13-21(10-11-23-17)16-18-6-1-7-19-16/h1,6-7,14H,2-5,8-13H2
InChIKeyBHLMQFXJOXQHQB-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.47
Rot. Bonds3

About 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 97450997) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID97450997
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C17H24N4O2/c22-15(12-14-2-3-14)20-8-4-17(5-9-20)13-21(10-11-23-17)16-18-6-1-7-19-16/h1,6-7,14H,2-5,8-13H2
InChIKeyBHLMQFXJOXQHQB-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 97450997) is 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is O=C(CC1CC1)N1CCC2(CC1)CN(c1ncccn1)CCO2.
What is the InChIKey of 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is BHLMQFXJOXQHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-15(12-14-2-3-14)20-8-4-17(5-9-20)13-21(10-11-23-17)16-18-6-1-7-19-16/h1,6-7,14H,2-5,8-13H2.
What are the key properties of 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 316.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 97450997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).