1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone

C15H23N3O2 — CID 56868207

IUPAC1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C15H23N3O2/c1-2-4-13-12(11-16-17-13)14(19)18-8-6-15(7-9-18)5-3-10-20-15/h11H,2-10H2,1H3,(H,16,17)
InChIKeyMLMRUXXLMNNGJQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.15
Rot. Bonds3

About 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone

1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone (PubChem CID 56868207) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone
PubChem CID56868207
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C15H23N3O2/c1-2-4-13-12(11-16-17-13)14(19)18-8-6-15(7-9-18)5-3-10-20-15/h11H,2-10H2,1H3,(H,16,17)
InChIKeyMLMRUXXLMNNGJQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775762
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126925
(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97204422
7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56873874
2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide
CID 166350503
(1-ethylpyrazol-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74236184
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70745523
2-fluoro-6-[4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]benzonitrile
CID 91661012
N-ethyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110203876

Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone (CID 56868207) is 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone is CCCc1[nH]ncc1C(=O)N1CCC2(CCCO2)CC1.
What is the InChIKey of 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone?
The InChIKey is MLMRUXXLMNNGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-4-13-12(11-16-17-13)14(19)18-8-6-15(7-9-18)5-3-10-20-15/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone?
1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 56868207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).