3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione

C19H23N3O5 — CID 171139192

IUPAC3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(C=CC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC
InChIInChI=1S/C19H23N3O5/c1-26-15-5-3-13(11-16(15)27-2)4-6-17(23)21-9-7-14(8-10-21)22-18(24)12-20-19(22)25/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,25)
InChIKeyMFLBKQGLJUOJLR-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.26
Rot. Bonds5

About 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione

3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 171139192) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID171139192
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(C=CC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC
InChIInChI=1S/C19H23N3O5/c1-26-15-5-3-13(11-16(15)27-2)4-6-17(23)21-9-7-14(8-10-21)22-18(24)12-20-19(22)25/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,25)
InChIKeyMFLBKQGLJUOJLR-UHFFFAOYSA-N
XLogP1.26
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-[1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159899
(E)-3-(3,4-dimethoxyphenyl)-1-[4-(triazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 121164952
3-(3,4-dimethoxyphenyl)-1-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 4690668
(E)-1-(4-acetylpiperazin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 35741568
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160487
3-[1-(3-phenylprop-2-enoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 171139182
(E)-1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 9295888
(E)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 9295899
3-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 119100052
(E)-3-(3,4-dimethoxyphenyl)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]prop-2-en-1-one
CID 27492554
1-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 30880354
(E)-3-(3,4-dimethoxyphenyl)-1-[(7S)-7-phenyl-1,4-thiazepan-4-yl]prop-2-en-1-one
CID 99884092

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 171139192) is 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione is COc1ccc(C=CC(=O)N2CCC(N3C(=O)CNC3=O)CC2)cc1OC.
What is the InChIKey of 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is MFLBKQGLJUOJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-26-15-5-3-13(11-16(15)27-2)4-6-17(23)21-9-7-14(8-10-21)22-18(24)12-20-19(22)25/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,25).
What are the key properties of 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 171139192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).