1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

C25H26N4O3 — CID 91819445

IUPAC1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESCn1cc(CC(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c2ccccc21
InChIInChI=1S/C25H26N4O3/c1-26-16-18(21-9-5-6-10-22(21)26)15-23(30)27-13-11-19(12-14-27)28-17-24(31)29(25(28)32)20-7-3-2-4-8-20/h2-10,16,19H,11-15,17H2,1H3
InChIKeyYPEFFTFXALKZJT-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.18
Rot. Bonds4

About 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (PubChem CID 91819445) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
PubChem CID91819445
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESCn1cc(CC(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c2ccccc21
InChIInChI=1S/C25H26N4O3/c1-26-16-18(21-9-5-6-10-22(21)26)15-23(30)27-13-11-19(12-14-27)28-17-24(31)29(25(28)32)20-7-3-2-4-8-20/h2-10,16,19H,11-15,17H2,1H3
InChIKeyYPEFFTFXALKZJT-UHFFFAOYSA-N
XLogP3.18
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899702
1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 139306179
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
2-chloroacetyl chloride;1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;3-phenyl-1-piperidin-4-ylimidazolidine-2,4-dione
CID 167616386
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
1-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 3634563
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70774679
1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819450

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (CID 91819445) is 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is Cn1cc(CC(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c2ccccc21.
What is the InChIKey of 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The InChIKey is YPEFFTFXALKZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-26-16-18(21-9-5-6-10-22(21)26)15-23(30)27-13-11-19(12-14-27)28-17-24(31)29(25(28)32)20-7-3-2-4-8-20/h2-10,16,19H,11-15,17H2,1H3.
What are the key properties of 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione has a molecular weight of 430.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 91819445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).