N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide

C19H22N4O4 — CID 166405919

IUPACN-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NN2CC(=O)N(C)C2=O)(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O4/c1-3-15(24)22-11-9-19(10-12-22,14-7-5-4-6-8-14)17(26)20-23-13-16(25)21(2)18(23)27/h3-8H,1,9-13H2,2H3,(H,20,26)
InChIKeyVOQQXFARYOAQCQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.66
Rot. Bonds4

About N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide

N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166405919) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166405919
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NN2CC(=O)N(C)C2=O)(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O4/c1-3-15(24)22-11-9-19(10-12-22,14-7-5-4-6-8-14)17(26)20-23-13-16(25)21(2)18(23)27/h3-8H,1,9-13H2,2H3,(H,20,26)
InChIKeyVOQQXFARYOAQCQ-UHFFFAOYSA-N
XLogP0.66
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(4-phenyl-1-prop-2-enoylpiperidine-4-carbonyl)-1,4-diazepan-2-one
CID 166405931
benzyl (2R)-2-[(4-phenyl-1-prop-2-enoylpiperidine-4-carbonyl)amino]propanoate
CID 166412679
(3aS,7aR)-1-methyl-5-(4-phenyl-1-prop-2-enoylpiperidine-4-carbonyl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 167875693
1-[4-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl]-4-phenylpiperidin-1-yl]prop-2-en-1-one
CID 166407399
tert-butyl 1-(4-phenyl-1-prop-2-enoylpiperidine-4-carbonyl)azetidine-3-carboxylate
CID 154802583
1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one
CID 91836361
1-[4-[(3S)-3-methylthiomorpholine-4-carbonyl]-4-phenylpiperidin-1-yl]prop-2-en-1-one
CID 167766544
N-[(3-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide
CID 167765069
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
1-(2-methylbut-2-enoyl)-4-phenylpiperidine-4-carboxylic acid
CID 91943939
4-phenyl-N-piperazin-1-ylpiperidine-4-carboxamide
CID 70118904
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide (CID 166405919) is N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NN2CC(=O)N(C)C2=O)(c2ccccc2)CC1.
What is the InChIKey of N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is VOQQXFARYOAQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-3-15(24)22-11-9-19(10-12-22,14-7-5-4-6-8-14)17(26)20-23-13-16(25)21(2)18(23)27/h3-8H,1,9-13H2,2H3,(H,20,26).
What are the key properties of N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide?
N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-4-phenyl-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166405919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).