3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C19H27N5O3 — CID 9459460

IUPAC3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1C[C@H](O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H27N5O3/c25-15(14-24-17(26)19(21-18(24)27)6-2-3-7-19)13-22-9-11-23(12-10-22)16-5-1-4-8-20-16/h1,4-5,8,15,25H,2-3,6-7,9-14H2,(H,21,27)/t15-/m1/s1
InChIKeyQUJKSVKDWJXJRK-OAHLLOKOSA-N
MW373.46 g/mol
LogP0.43
Rot. Bonds5

About 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 9459460) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID9459460
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1C[C@H](O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H27N5O3/c25-15(14-24-17(26)19(21-18(24)27)6-2-3-7-19)13-22-9-11-23(12-10-22)16-5-1-4-8-20-16/h1,4-5,8,15,25H,2-3,6-7,9-14H2,(H,21,27)/t15-/m1/s1
InChIKeyQUJKSVKDWJXJRK-OAHLLOKOSA-N
XLogP0.43
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 13304715
(3aS,7aR)-2-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13304487
(6S,7R)-4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 22828289
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 47556102
3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 95582367
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
CID 70692417
(2S)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1315226
(2R)-1-(4-bromophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 1311309
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 9459460) is 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1C[C@H](O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is QUJKSVKDWJXJRK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N5O3/c25-15(14-24-17(26)19(21-18(24)27)6-2-3-7-19)13-22-9-11-23(12-10-22)16-5-1-4-8-20-16/h1,4-5,8,15,25H,2-3,6-7,9-14H2,(H,21,27)/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 373.46 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 9459460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).