(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one

C17H26N4O2 — CID 96580750

IUPAC(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@@]2(CCCN(c3ccc(C)nn3)C2)CCC1=O
InChIInChI=1S/C17H26N4O2/c1-14-4-5-15(19-18-14)20-9-3-7-17(12-20)8-6-16(22)21(13-17)10-11-23-2/h4-5H,3,6-13H2,1-2H3/t17-/m0/s1
InChIKeyVPDWMUNZSAJLAL-KRWDZBQOSA-N
MW318.42 g/mol
LogP1.64
Rot. Bonds4

About (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96580750) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96580750
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@@]2(CCCN(c3ccc(C)nn3)C2)CCC1=O
InChIInChI=1S/C17H26N4O2/c1-14-4-5-15(19-18-14)20-9-3-7-17(12-20)8-6-16(22)21(13-17)10-11-23-2/h4-5H,3,6-13H2,1-2H3/t17-/m0/s1
InChIKeyVPDWMUNZSAJLAL-KRWDZBQOSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72878251
(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870283
(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-methyl-2-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729461
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690
(5R)-7-(6-methylpyridazin-3-yl)-2-propyl-2,7-diazaspiro[4.5]decane
CID 97484147
2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715563
9-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70785590
(6S)-8-(5-chloro-2-methylbenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124569
8-[2-(benzotriazol-2-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863454
4-[[(6R)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzamide
CID 97141995

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96580750) is (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1C[C@@]2(CCCN(c3ccc(C)nn3)C2)CCC1=O.
What is the InChIKey of (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is VPDWMUNZSAJLAL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14-4-5-15(19-18-14)20-9-3-7-17(12-20)8-6-16(22)21(13-17)10-11-23-2/h4-5H,3,6-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96580750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).