1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one

C17H25N5O3 — CID 154773282

IUPAC1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]n1)N1CCC2(CC1)CN(C(=O)C1CC1)CCO2
InChIInChI=1S/C17H25N5O3/c23-15(4-3-14-11-18-20-19-14)21-7-5-17(6-8-21)12-22(9-10-25-17)16(24)13-1-2-13/h11,13H,1-10,12H2,(H,18,19,20)
InChIKeyRKHSDDYPMPAQIS-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.37
Rot. Bonds4

About 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one

1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one (PubChem CID 154773282) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one
PubChem CID154773282
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]n1)N1CCC2(CC1)CN(C(=O)C1CC1)CCO2
InChIInChI=1S/C17H25N5O3/c23-15(4-3-14-11-18-20-19-14)21-7-5-17(6-8-21)12-22(9-10-25-17)16(24)13-1-2-13/h11,13H,1-10,12H2,(H,18,19,20)
InChIKeyRKHSDDYPMPAQIS-UHFFFAOYSA-N
XLogP0.37
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
CID 102553114
1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one
CID 95826603
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride
CID 118741827
cyclopent-3-en-1-yl-[9-(1-ethylpyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131895640
1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one
CID 166432895
1-[4-[2-(benzotriazol-2-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131932589
1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(2H-triazol-4-yl)propan-1-one
CID 164643072
(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131908824
cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97451000
(4,4-difluorocyclohexyl)-(9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114590
cyclopent-3-en-1-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450797

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one (CID 154773282) is 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one is O=C(CCc1cn[nH]n1)N1CCC2(CC1)CN(C(=O)C1CC1)CCO2.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one?
The InChIKey is RKHSDDYPMPAQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c23-15(4-3-14-11-18-20-19-14)21-7-5-17(6-8-21)12-22(9-10-25-17)16(24)13-1-2-13/h11,13H,1-10,12H2,(H,18,19,20).
What are the key properties of 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one?
1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one has a molecular weight of 347.42 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one is sourced from PubChem (CID 154773282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).