5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C29H30N4O3 — CID 45174615

IUPAC5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)NC(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C29H30N4O3/c1-29(27(35)33(28(36)31-29)20-22-11-15-30-16-12-22)25-13-17-32(18-14-25)26(34)19-21-7-9-24(10-8-21)23-5-3-2-4-6-23/h2-12,15-16,25H,13-14,17-20H2,1H3,(H,31,36)
InChIKeyZVRXPSAGDJRDFI-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.04
Rot. Bonds6

About 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 45174615) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID45174615
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)NC(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C29H30N4O3/c1-29(27(35)33(28(36)31-29)20-22-11-15-30-16-12-22)25-13-17-32(18-14-25)26(34)19-21-7-9-24(10-8-21)23-5-3-2-4-6-23/h2-12,15-16,25H,13-14,17-20H2,1H3,(H,31,36)
InChIKeyZVRXPSAGDJRDFI-UHFFFAOYSA-N
XLogP4.04
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.04
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

(5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 42407203
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45194202
(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42331802
5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45183515
3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45172231
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione
CID 8576335
5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 78827283
1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone
CID 90585167
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45210275
(5S)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282965
(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282962
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 45174615) is 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is CC1(C2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)NC(=O)N(Cc2ccncc2)C1=O.
What is the InChIKey of 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is ZVRXPSAGDJRDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-29(27(35)33(28(36)31-29)20-22-11-15-30-16-12-22)25-13-17-32(18-14-25)26(34)19-21-7-9-24(10-8-21)23-5-3-2-4-6-23/h2-12,15-16,25H,13-14,17-20H2,1H3,(H,31,36).
What are the key properties of 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 482.58 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45174615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).