5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione

C26H29ClN4O4 — CID 45233140

IUPAC5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(C2(c3ccccn3)NC(=O)N(CC3CCCO3)C2=O)CC1
InChIInChI=1S/C26H29ClN4O4/c27-20-8-6-18(7-9-20)16-23(32)30-13-10-19(11-14-30)26(22-5-1-2-12-28-22)24(33)31(25(34)29-26)17-21-4-3-15-35-21/h1-2,5-9,12,19,21H,3-4,10-11,13-17H2,(H,29,34)
InChIKeyJFRFSBJZWXWPSM-UHFFFAOYSA-N
MW497.00 g/mol
LogP3.14
Rot. Bonds6

About 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione

5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 45233140) has the molecular formula C26H29ClN4O4 and a molecular weight of 497.00 g/mol. Its IUPAC name is 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID45233140
Molecular FormulaC26H29ClN4O4
Molecular Weight497.00 g/mol
Exact Mass496.19
IUPAC Name5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(C2(c3ccccn3)NC(=O)N(CC3CCCO3)C2=O)CC1
InChIInChI=1S/C26H29ClN4O4/c27-20-8-6-18(7-9-20)16-23(32)30-13-10-19(11-14-30)26(22-5-1-2-12-28-22)24(33)31(25(34)29-26)17-21-4-3-15-35-21/h1-2,5-9,12,19,21H,3-4,10-11,13-17H2,(H,29,34)
InChIKeyJFRFSBJZWXWPSM-UHFFFAOYSA-N
XLogP3.14
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42432477
(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)-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-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26351024
5-[1-[2-(2,3-difluorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45230238
3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45197451
(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
(5S)-5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42485301
(5S)-5-(1-benzylpiperidin-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340144
(5R)-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42332168
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione (CID 45233140) is 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione is O=C(Cc1ccc(Cl)cc1)N1CCC(C2(c3ccccn3)NC(=O)N(CC3CCCO3)C2=O)CC1.
What is the InChIKey of 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is JFRFSBJZWXWPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4/c27-20-8-6-18(7-9-20)16-23(32)30-13-10-19(11-14-30)26(22-5-1-2-12-28-22)24(33)31(25(34)29-26)17-21-4-3-15-35-21/h1-2,5-9,12,19,21H,3-4,10-11,13-17H2,(H,29,34).
What are the key properties of 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 497.00 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 45233140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).