1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione

C22H23N3O3 — CID 72847879

IUPAC1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2ccccc2)CCCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C22H23N3O3/c1-22(17-6-3-2-4-7-17)12-5-13-24(15-22)20(27)16-8-10-18(11-9-16)25-14-19(26)23-21(25)28/h2-4,6-11H,5,12-15H2,1H3,(H,23,26,28)
InChIKeyNNWZBEBLXYHDRT-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.94
Rot. Bonds3

About 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione

1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione (PubChem CID 72847879) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
PubChem CID72847879
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2ccccc2)CCCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C22H23N3O3/c1-22(17-6-3-2-4-7-17)12-5-13-24(15-22)20(27)16-8-10-18(11-9-16)25-14-19(26)23-21(25)28/h2-4,6-11H,5,12-15H2,1H3,(H,23,26,28)
InChIKeyNNWZBEBLXYHDRT-UHFFFAOYSA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 97119960
4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 139000610
1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72881128
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72908605
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione
CID 56895730
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 97141855
4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 124615496
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72938900

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione (CID 72847879) is 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione is CC1(c2ccccc2)CCCN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1.
What is the InChIKey of 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is NNWZBEBLXYHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-22(17-6-3-2-4-7-17)12-5-13-24(15-22)20(27)16-8-10-18(11-9-16)25-14-19(26)23-21(25)28/h2-4,6-11H,5,12-15H2,1H3,(H,23,26,28).
What are the key properties of 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione?
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 377.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72847879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).