(5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione

C28H32N4O2 — CID 31388043

IUPAC(5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C28H32N4O2/c1-28(24-13-12-22-8-4-5-9-23(22)18-24)26(33)32(27(34)29-28)20-30(2)19-21-10-14-25(15-11-21)31-16-6-3-7-17-31/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,29,34)/t28-/m1/s1
InChIKeyHOURYZVSDBZQMJ-MUUNZHRXSA-N
MW456.59 g/mol
LogP4.69
Rot. Bonds6

About (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione

(5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 31388043) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID31388043
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name(5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C28H32N4O2/c1-28(24-13-12-22-8-4-5-9-23(22)18-24)26(33)32(27(34)29-28)20-30(2)19-21-10-14-25(15-11-21)31-16-6-3-7-17-31/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,29,34)/t28-/m1/s1
InChIKeyHOURYZVSDBZQMJ-MUUNZHRXSA-N
XLogP4.69
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-methyl-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31388762
(5S)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9318878
3-[[benzyl(methyl)amino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4215276
N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 41023343
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 41410815
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 41410811
N-[(4-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546321
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55385186
N-methyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-2-ylacetamide
CID 166210015

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 31388043) is (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione is CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is HOURYZVSDBZQMJ-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-28(24-13-12-22-8-4-5-9-23(22)18-24)26(33)32(27(34)29-28)20-30(2)19-21-10-14-25(15-11-21)31-16-6-3-7-17-31/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,29,34)/t28-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
(5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 456.59 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 31388043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).