(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

C14H16ClN3O2 — CID 124604264

IUPAC(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1N[C@]2(CCCNC2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c15-11-4-2-10(3-5-11)8-18-12(19)14(17-13(18)20)6-1-7-16-9-14/h2-5,16H,1,6-9H2,(H,17,20)/t14-/m0/s1
InChIKeyCAWQDBHJURVPGQ-AWEZNQCLSA-N
MW293.75 g/mol
LogP1.51
Rot. Bonds2

About (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 124604264) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID124604264
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1N[C@]2(CCCNC2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c15-11-4-2-10(3-5-11)8-18-12(19)14(17-13(18)20)6-1-7-16-9-14/h2-5,16H,1,6-9H2,(H,17,20)/t14-/m0/s1
InChIKeyCAWQDBHJURVPGQ-AWEZNQCLSA-N
XLogP1.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 75356044
3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 115984165
3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 107309588
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3'-[(4-chlorophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4150094
8-[2-(4-chlorophenyl)acetyl]-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278745
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110005331
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 124604264) is (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is O=C1N[C@]2(CCCNC2)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CAWQDBHJURVPGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-11-4-2-10(3-5-11)8-18-12(19)14(17-13(18)20)6-1-7-16-9-14/h2-5,16H,1,6-9H2,(H,17,20)/t14-/m0/s1.
What are the key properties of (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 293.75 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 124604264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).