(5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol

C20H26N4O — CID 110155607

IUPAC(5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(c2cnccn2)CC[C@@]12CCCN2CCc1ccccc1
InChIInChI=1S/C20H26N4O/c25-18-16-23(19-15-21-10-11-22-19)14-9-20(18)8-4-12-24(20)13-7-17-5-2-1-3-6-17/h1-3,5-6,10-11,15,18,25H,4,7-9,12-14,16H2/t18-,20-/m0/s1
InChIKeyYKGIFEGGODRTEH-ICSRJNTNSA-N
MW338.45 g/mol
LogP2.12
Rot. Bonds4

About (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol

(5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol (PubChem CID 110155607) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol
PubChem CID110155607
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol
SMILESO[C@H]1CN(c2cnccn2)CC[C@@]12CCCN2CCc1ccccc1
InChIInChI=1S/C20H26N4O/c25-18-16-23(19-15-21-10-11-22-19)14-9-20(18)8-4-12-24(20)13-7-17-5-2-1-3-6-17/h1-3,5-6,10-11,15,18,25H,4,7-9,12-14,16H2/t18-,20-/m0/s1
InChIKeyYKGIFEGGODRTEH-ICSRJNTNSA-N
XLogP2.12
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol with MolForge

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Related Compounds

2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 110155675
1-(3-phenylpropyl)-4-pyrazin-2-yl-1,4-diazepane
CID 70713672
2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide
CID 110077683
2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 110166571
4-benzyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 135111107
N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162119
N-[2-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162152
1-(cyclopropylmethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane
CID 97396887
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
2-[3-(bromomethyl)piperidin-1-yl]pyrazine
CID 80674587
(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol
CID 110159406
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol (CID 110155607) is (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol is O[C@H]1CN(c2cnccn2)CC[C@@]12CCCN2CCc1ccccc1.
What is the InChIKey of (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol?
The InChIKey is YKGIFEGGODRTEH-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H26N4O/c25-18-16-23(19-15-21-10-11-22-19)14-9-20(18)8-4-12-24(20)13-7-17-5-2-1-3-6-17/h1-3,5-6,10-11,15,18,25H,4,7-9,12-14,16H2/t18-,20-/m0/s1.
What are the key properties of (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol?
(5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol has a molecular weight of 338.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110155607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).