(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione

C24H28N4O3 — CID 45376292

IUPAC(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@H](c2ccccc2)C(=O)N1Cc1ccc(OC2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C24H28N4O3/c29-23-22(19-4-2-1-3-5-19)26-24(30)28(23)16-18-8-9-21(25-14-18)31-20-10-12-27(13-11-20)15-17-6-7-17/h1-5,8-9,14,17,20,22H,6-7,10-13,15-16H2,(H,26,30)/t22-/m1/s1
InChIKeyPJLJAMRTQZLGSB-JOCHJYFZSA-N
MW420.51 g/mol
LogP3.13
Rot. Bonds7

About (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione

(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 45376292) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID45376292
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@H](c2ccccc2)C(=O)N1Cc1ccc(OC2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C24H28N4O3/c29-23-22(19-4-2-1-3-5-19)26-24(30)28(23)16-18-8-9-21(25-14-18)31-20-10-12-27(13-11-20)15-17-6-7-17/h1-5,8-9,14,17,20,22H,6-7,10-13,15-16H2,(H,26,30)/t22-/m1/s1
InChIKeyPJLJAMRTQZLGSB-JOCHJYFZSA-N
XLogP3.13
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione with MolForge

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Related Compounds

(1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [(S)-1-(6-isopropoxy-pyridin-3-yl)-ethyl]-amide
CID 71201914
1-Butyl-3-(cyclohexylmethyl)-9-[(6-phenoxy-3-pyridinyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;dihydrochloride
CID 90665058
1-(1,8-Diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone
CID 154972366
N-[(1S,2R)-2-phenylcyclopropyl]-4-pyridin-2-yloxypiperidine-1-carboxamide
CID 76332319
(2S)-N-[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-2-phenylpropanamide
CID 162677099
N-[4-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510532
N-[6-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510538
N-[6-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510539
N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510544
N-[6-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxy-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510545
N-[6-[1-(cyclobutanecarbonyl)piperidin-4-yl]oxy-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510546
N-[6-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxy-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510547

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione (CID 45376292) is (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione is O=C1N[C@H](c2ccccc2)C(=O)N1Cc1ccc(OC2CCN(CC3CC3)CC2)nc1.
What is the InChIKey of (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is PJLJAMRTQZLGSB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-23-22(19-4-2-1-3-5-19)26-24(30)28(23)16-18-8-9-21(25-14-18)31-20-10-12-27(13-11-20)15-17-6-7-17/h1-5,8-9,14,17,20,22H,6-7,10-13,15-16H2,(H,26,30)/t22-/m1/s1.
What are the key properties of (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione?
(5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 420.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 45376292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).