10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one

C22H26N4O2 — CID 171148186

IUPAC10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
SMILESO=C1CC2(CCN(c3ncccn3)CC2)OCCN1CC=Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c27-20-18-22(9-14-26(15-10-22)21-23-11-5-12-24-21)28-17-16-25(20)13-4-8-19-6-2-1-3-7-19/h1-8,11-12H,9-10,13-18H2
InChIKeyXHNFGXMIADMGLO-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.78
Rot. Bonds4

About 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one

10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one (PubChem CID 171148186) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one.

Molecular Properties

Compound Name10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
PubChem CID171148186
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
SMILESO=C1CC2(CCN(c3ncccn3)CC2)OCCN1CC=Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c27-20-18-22(9-14-26(15-10-22)21-23-11-5-12-24-21)28-17-16-25(20)13-4-8-19-6-2-1-3-7-19/h1-8,11-12H,9-10,13-18H2
InChIKeyXHNFGXMIADMGLO-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
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8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940825
N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide
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2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
9-pyrimidin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one?
The IUPAC name of 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one (CID 171148186) is 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one.
What is the SMILES notation for 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one?
The canonical SMILES for 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one is O=C1CC2(CCN(c3ncccn3)CC2)OCCN1CC=Cc1ccccc1.
What is the InChIKey of 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one?
The InChIKey is XHNFGXMIADMGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-20-18-22(9-14-26(15-10-22)21-23-11-5-12-24-21)28-17-16-25(20)13-4-8-19-6-2-1-3-7-19/h1-8,11-12H,9-10,13-18H2.
What are the key properties of 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one?
10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one has a molecular weight of 378.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-phenylprop-2-enyl)-3-pyrimidin-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one is sourced from PubChem (CID 171148186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).