5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione

C28H33N5O3 — CID 45166233

IUPAC5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCc1[nH]c2ccccc2c1CN1CCC(C2(c3ccccn3)NC(=O)N(CC3CCCO3)C2=O)CC1
InChIInChI=1S/C28H33N5O3/c1-19-23(22-8-2-3-9-24(22)30-19)18-32-14-11-20(12-15-32)28(25-10-4-5-13-29-25)26(34)33(27(35)31-28)17-21-7-6-16-36-21/h2-5,8-10,13,20-21,30H,6-7,11-12,14-18H2,1H3,(H,31,35)
InChIKeyKYTDGDHARSDTDL-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.71
Rot. Bonds6

About 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione

5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 45166233) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID45166233
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCc1[nH]c2ccccc2c1CN1CCC(C2(c3ccccn3)NC(=O)N(CC3CCCO3)C2=O)CC1
InChIInChI=1S/C28H33N5O3/c1-19-23(22-8-2-3-9-24(22)30-19)18-32-14-11-20(12-15-32)28(25-10-4-5-13-29-25)26(34)33(27(35)31-28)17-21-7-6-16-36-21/h2-5,8-10,13,20-21,30H,6-7,11-12,14-18H2,1H3,(H,31,35)
InChIKeyKYTDGDHARSDTDL-UHFFFAOYSA-N
XLogP3.71
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42397859
(5S)-5-(1-benzylpiperidin-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340144
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45180616
5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45196944
(5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42462024
(5R)-5-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340619
(5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42438417
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26351024
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26351019
(5R)-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42332168
(5S)-5-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26350498
(5R)-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26361612

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione (CID 45166233) is 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione is Cc1[nH]c2ccccc2c1CN1CCC(C2(c3ccccn3)NC(=O)N(CC3CCCO3)C2=O)CC1.
What is the InChIKey of 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is KYTDGDHARSDTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-19-23(22-8-2-3-9-24(22)30-19)18-32-14-11-20(12-15-32)28(25-10-4-5-13-29-25)26(34)33(27(35)31-28)17-21-7-6-16-36-21/h2-5,8-10,13,20-21,30H,6-7,11-12,14-18H2,1H3,(H,31,35).
What are the key properties of 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 487.60 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 45166233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).