2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

C18H28N4O3 — CID 70715563

IUPAC2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCCN(c3ncc(OC)cn3)C2)CCC1=O
InChIInChI=1S/C18H28N4O3/c1-24-10-4-9-21-13-18(7-5-16(21)23)6-3-8-22(14-18)17-19-11-15(25-2)12-20-17/h11-12H,3-10,13-14H2,1-2H3
InChIKeyYTVRJWNNSMWIBM-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.73
Rot. Bonds6

About 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70715563) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70715563
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCCN(c3ncc(OC)cn3)C2)CCC1=O
InChIInChI=1S/C18H28N4O3/c1-24-10-4-9-21-13-18(7-5-16(21)23)6-3-8-22(14-18)17-19-11-15(25-2)12-20-17/h11-12H,3-10,13-14H2,1-2H3
InChIKeyYTVRJWNNSMWIBM-UHFFFAOYSA-N
XLogP1.73
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
(6S)-8-(5-methoxypyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95884972
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70788480
(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690
2-(3-methoxypropyl)-8-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729461
(6S)-8-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97042051
2-(3-methoxypropyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754929
(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580750
(6R)-2-(3-methoxypropyl)-8-[2-(3-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95895959
2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72878251
2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70744940
methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate
CID 70771539

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70715563) is 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is COCCCN1CC2(CCCN(c3ncc(OC)cn3)C2)CCC1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YTVRJWNNSMWIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-24-10-4-9-21-13-18(7-5-16(21)23)6-3-8-22(14-18)17-19-11-15(25-2)12-20-17/h11-12H,3-10,13-14H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70715563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).