(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione

C25H31N5O3 — CID 134495156

IUPAC(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C25H31N5O3/c1-5-10-25(23(32)27-24(33)28-25)20-8-6-19(7-9-20)22(31)30-13-11-29(12-14-30)21-17(3)15-16(2)18(4)26-21/h6-9,15H,5,10-14H2,1-4H3,(H2,27,28,32,33)/t25-/m0/s1
InChIKeyGYMUJJHMEJGNLA-VWLOTQADSA-N
MW449.56 g/mol
LogP2.80
Rot. Bonds5

About (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione

(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 134495156) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID134495156
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C25H31N5O3/c1-5-10-25(23(32)27-24(33)28-25)20-8-6-19(7-9-20)22(31)30-13-11-29(12-14-30)21-17(3)15-16(2)18(4)26-21/h6-9,15H,5,10-14H2,1-4H3,(H2,27,28,32,33)/t25-/m0/s1
InChIKeyGYMUJJHMEJGNLA-VWLOTQADSA-N
XLogP2.80
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

5-(methoxymethyl)-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494521
5-methyl-5-[3-methyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494886
3-ethyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,4-dione
CID 134494693
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
CID 134494545
(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134494842
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494331
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-ethylimidazolidine-2,4-dione
CID 134494339
(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494582
1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one
CID 150604099
(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 58484501
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494383
[4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone;hydrochloride
CID 71252830

Frequently Asked Questions

What is the IUPAC name of (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 134495156) is (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione is CCC[C@@]1(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)cc2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is GYMUJJHMEJGNLA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-5-10-25(23(32)27-24(33)28-25)20-8-6-19(7-9-20)22(31)30-13-11-29(12-14-30)21-17(3)15-16(2)18(4)26-21/h6-9,15H,5,10-14H2,1-4H3,(H2,27,28,32,33)/t25-/m0/s1.
What are the key properties of (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
(5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 449.56 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propyl-5-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 134495156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).