3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione

C22H25N3O4 — CID 121160307

IUPAC3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C22H25N3O4/c1-29-19-8-6-15-4-2-3-5-17(15)18(19)7-9-20(26)24-12-10-16(11-13-24)25-21(27)14-23-22(25)28/h2-6,8,16H,7,9-14H2,1H3,(H,23,28)
InChIKeyJCEBUTUIAVCBGW-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.32
Rot. Bonds5

About 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione

3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160307) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160307
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C22H25N3O4/c1-29-19-8-6-15-4-2-3-5-17(15)18(19)7-9-20(26)24-12-10-16(11-13-24)25-21(27)14-23-22(25)28/h2-6,8,16H,7,9-14H2,1H3,(H,23,28)
InChIKeyJCEBUTUIAVCBGW-UHFFFAOYSA-N
XLogP2.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121164888
3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90616391
1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121186934
3-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160207
3-[1-[3-(3-bromo-4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159819
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 90586658
1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121164374
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160226
3-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 171139192
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160487
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 121160307) is 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione is COc1ccc2ccccc2c1CCC(=O)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is JCEBUTUIAVCBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-19-8-6-15-4-2-3-5-17(15)18(19)7-9-20(26)24-12-10-16(11-13-24)25-21(27)14-23-22(25)28/h2-6,8,16H,7,9-14H2,1H3,(H,23,28).
What are the key properties of 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 395.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).