(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

C21H26N4O — CID 97147860

IUPAC(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(c3cnccn3)CC2)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C21H26N4O/c1-2-24-16-21(14-18(20(24)26)17-6-4-3-5-7-17)8-12-25(13-9-21)19-15-22-10-11-23-19/h3-7,10-11,15,18H,2,8-9,12-14,16H2,1H3/t18-/m0/s1
InChIKeyMHXZOXAFTSDCGT-SFHVURJKSA-N
MW350.47 g/mol
LogP3.10
Rot. Bonds3

About (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97147860) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97147860
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(c3cnccn3)CC2)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C21H26N4O/c1-2-24-16-21(14-18(20(24)26)17-6-4-3-5-7-17)8-12-25(13-9-21)19-15-22-10-11-23-19/h3-7,10-11,15,18H,2,8-9,12-14,16H2,1H3/t18-/m0/s1
InChIKeyMHXZOXAFTSDCGT-SFHVURJKSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97144161
(4R)-2-ethyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97154436
2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72895513
(4R)-2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97135166
2-ethyl-9-(1-methylpyrazole-4-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72902995
(4S)-9-cyclopropylsulfonyl-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138482
(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97149815
2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 91940108
2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72887510
3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide
CID 72863507
N-[3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-3-oxopropyl]acetamide
CID 72865020
9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72894402

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (CID 97147860) is (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(c3cnccn3)CC2)C[C@@H](c2ccccc2)C1=O.
What is the InChIKey of (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MHXZOXAFTSDCGT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-24-16-21(14-18(20(24)26)17-6-4-3-5-7-17)8-12-25(13-9-21)19-15-22-10-11-23-19/h3-7,10-11,15,18H,2,8-9,12-14,16H2,1H3/t18-/m0/s1.
What are the key properties of (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 350.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97147860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).