1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H28N4O3 — CID 26231735

IUPAC1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C23H28N4O3/c1-18(17-28)25-13-10-23(11-14-25)21(29)26(16-20-9-5-6-12-24-20)22(30)27(23)15-19-7-3-2-4-8-19/h2-9,12,18,28H,10-11,13-17H2,1H3/t18-/m0/s1
InChIKeyIOZMJZLTKZCFCA-SFHVURJKSA-N
MW408.50 g/mol
LogP2.26
Rot. Bonds6

About 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26231735) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26231735
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C23H28N4O3/c1-18(17-28)25-13-10-23(11-14-25)21(29)26(16-20-9-5-6-12-24-20)22(30)27(23)15-19-7-3-2-4-8-19/h2-9,12,18,28H,10-11,13-17H2,1H3/t18-/m0/s1
InChIKeyIOZMJZLTKZCFCA-SFHVURJKSA-N
XLogP2.26
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(2R)-1-hydroxypropan-2-yl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214497
8-[(2S)-1-hydroxypropan-2-yl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229646
1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26139079
8-[(2S)-butan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222211
3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141030
8-[(2R)-1-methoxypropan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228990
8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26138583
1-benzyl-8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140755
8-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225397
3-benzyl-1-(2-phenylethyl)-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142104
8-[(2S)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220241
8-(2-ethoxyacetyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166624209

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26231735) is 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IOZMJZLTKZCFCA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-18(17-28)25-13-10-23(11-14-25)21(29)26(16-20-9-5-6-12-24-20)22(30)27(23)15-19-7-3-2-4-8-19/h2-9,12,18,28H,10-11,13-17H2,1H3/t18-/m0/s1.
What are the key properties of 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 408.50 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26231735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).