(6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H32N4O2 — CID 96576917

IUPAC(6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@@]2(CCCN(Cc3c(C)nn(C)c3C)C2)CCC1=O
InChIInChI=1S/C19H32N4O2/c1-15-17(16(2)21(3)20-15)12-22-9-5-7-19(13-22)8-6-18(24)23(14-19)10-11-25-4/h5-14H2,1-4H3/t19-/m0/s1
InChIKeyBUWGBDMQSDJEEY-IBGZPJMESA-N
MW348.49 g/mol
LogP1.89
Rot. Bonds5

About (6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96576917) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96576917
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@@]2(CCCN(Cc3c(C)nn(C)c3C)C2)CCC1=O
InChIInChI=1S/C19H32N4O2/c1-15-17(16(2)21(3)20-15)12-22-9-5-7-19(13-22)8-6-18(24)23(14-19)10-11-25-4/h5-14H2,1-4H3/t19-/m0/s1
InChIKeyBUWGBDMQSDJEEY-IBGZPJMESA-N
XLogP1.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2-(3-methoxypropyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95862033
8-[(2-amino-3-pyridinyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70731550
(6S)-2-(2-methoxyethyl)-8-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97116269
4-[[(6R)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzamide
CID 97141995
2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70774935
8-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70788705
2-(2-methoxyethyl)-8-[(1-methylindol-6-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70727994
2-(2-methoxyethyl)-8-[(1-methylindol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70768959
2-(2-methoxyethyl)-8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72855368
(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
(6S)-8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870181

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 96576917) is (6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is COCCN1C[C@@]2(CCCN(Cc3c(C)nn(C)c3C)C2)CCC1=O.
What is the InChIKey of (6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is BUWGBDMQSDJEEY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15-17(16(2)21(3)20-15)12-22-9-5-7-19(13-22)8-6-18(24)23(14-19)10-11-25-4/h5-14H2,1-4H3/t19-/m0/s1.
What are the key properties of (6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.49 g/mol, XLogP of 1.89, 5 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96576917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).