(5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

C27H36N4O2 — CID 26280199

IUPAC(5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESCC[C@H](C)CN1CCC([C@]2(Cc3ccccc3)NC(=O)N(CCc3ccccn3)C2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-3-21(2)20-30-16-12-23(13-17-30)27(19-22-9-5-4-6-10-22)25(32)31(26(33)29-27)18-14-24-11-7-8-15-28-24/h4-11,15,21,23H,3,12-14,16-20H2,1-2H3,(H,29,33)/t21-,27-/m0/s1
InChIKeyNWSPIOMSIRSXIV-IDISGSTGSA-N
MW448.61 g/mol
LogP3.92
Rot. Bonds9

About (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

(5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 26280199) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
PubChem CID26280199
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name(5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESCC[C@H](C)CN1CCC([C@]2(Cc3ccccc3)NC(=O)N(CCc3ccccn3)C2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-3-21(2)20-30-16-12-23(13-17-30)27(19-22-9-5-4-6-10-22)25(32)31(26(33)29-27)18-14-24-11-7-8-15-28-24/h4-11,15,21,23H,3,12-14,16-20H2,1-2H3,(H,29,33)/t21-,27-/m0/s1
InChIKeyNWSPIOMSIRSXIV-IDISGSTGSA-N
XLogP3.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.92
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

5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 56714637
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45170715
5-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 118754184
5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45250014
3-but-2-ynyl-5-(2-phenylethyl)-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45179361
5-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45247625
(5R)-5-benzyl-5-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 42212185
5-benzyl-5-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 45168143
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45241344
(5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 25291890
5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45168439
5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45239892

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (CID 26280199) is (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is CC[C@H](C)CN1CCC([C@]2(Cc3ccccc3)NC(=O)N(CCc3ccccn3)C2=O)CC1.
What is the InChIKey of (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is NWSPIOMSIRSXIV-IDISGSTGSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-3-21(2)20-30-16-12-23(13-17-30)27(19-22-9-5-4-6-10-22)25(32)31(26(33)29-27)18-14-24-11-7-8-15-28-24/h4-11,15,21,23H,3,12-14,16-20H2,1-2H3,(H,29,33)/t21-,27-/m0/s1.
What are the key properties of (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
(5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 448.61 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 26280199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).