1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C29H32N4O2 — CID 26139079

IUPAC1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H](CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1)c1ccccc1
InChIInChI=1S/C29H32N4O2/c1-23(25-12-6-3-7-13-25)20-31-18-15-29(16-19-31)27(34)32(22-26-14-8-9-17-30-26)28(35)33(29)21-24-10-4-2-5-11-24/h2-14,17,23H,15-16,18-22H2,1H3/t23-/m0/s1
InChIKeyJJZFCFPTAFSZGV-QHCPKHFHSA-N
MW468.60 g/mol
LogP4.68
Rot. Bonds7

About 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26139079) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26139079
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H](CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1)c1ccccc1
InChIInChI=1S/C29H32N4O2/c1-23(25-12-6-3-7-13-25)20-31-18-15-29(16-19-31)27(34)32(22-26-14-8-9-17-30-26)28(35)33(29)21-24-10-4-2-5-11-24/h2-14,17,23H,15-16,18-22H2,1H3/t23-/m0/s1
InChIKeyJJZFCFPTAFSZGV-QHCPKHFHSA-N
XLogP4.68
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231735
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-[(2R)-2-methylbutyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137380
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-(2,2-dimethylpropyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26139802
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)-butan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222211
3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45162126
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
1-ethyl-8-[(3-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234762
1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26144977

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26139079) is 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@@H](CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JJZFCFPTAFSZGV-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-23(25-12-6-3-7-13-25)20-31-18-15-29(16-19-31)27(34)32(22-26-14-8-9-17-30-26)28(35)33(29)21-24-10-4-2-5-11-24/h2-14,17,23H,15-16,18-22H2,1H3/t23-/m0/s1.
What are the key properties of 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 468.60 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26139079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).