3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione

C19H23N3O3 — CID 131702762

IUPAC3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC/C(=C\c1ccccc1)C(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C19H23N3O3/c1-14(12-15-6-4-3-5-7-15)18(24)21-10-8-16(9-11-21)22-13-17(23)20(2)19(22)25/h3-7,12,16H,8-11,13H2,1-2H3/b14-12+
InChIKeyYHPMJQOJKAGCHC-WYMLVPIESA-N
MW341.41 g/mol
LogP1.97
Rot. Bonds3

About 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione

3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 131702762) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID131702762
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC/C(=C\c1ccccc1)C(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C19H23N3O3/c1-14(12-15-6-4-3-5-7-15)18(24)21-10-8-16(9-11-21)22-13-17(23)20(2)19(22)25/h3-7,12,16H,8-11,13H2,1-2H3/b14-12+
InChIKeyYHPMJQOJKAGCHC-WYMLVPIESA-N
XLogP1.97
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

methyl 1-(2-methyl-3-phenylprop-2-enoyl)piperidine-4-carboxylate
CID 889257
1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione
CID 171137180
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889083
(Z)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889084
(E)-2-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 110308213
1-(4-benzylpiperazin-1-yl)-2-methyl-3-phenylprop-2-en-1-one
CID 667699
(Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 7429607
1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 139306179
1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819499
3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 131703742
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
(E)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 110310490

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 131702762) is 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione is C/C(=C\c1ccccc1)C(=O)N1CCC(N2CC(=O)N(C)C2=O)CC1.
What is the InChIKey of 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is YHPMJQOJKAGCHC-WYMLVPIESA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(12-15-6-4-3-5-7-15)18(24)21-10-8-16(9-11-21)22-13-17(23)20(2)19(22)25/h3-7,12,16H,8-11,13H2,1-2H3/b14-12+.
What are the key properties of 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[(E)-2-methyl-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 131702762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).