(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C24H33N5O5 — CID 40803564

IUPAC(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1=O
InChIInChI=1S/C24H33N5O5/c1-24(8-7-19-5-3-2-4-6-19)22(32)29(23(33)25-24)18-21(31)27-11-9-26(10-12-27)17-20(30)28-13-15-34-16-14-28/h2-6H,7-18H2,1H3,(H,25,33)/t24-/m0/s1
InChIKeyJBJWRYGBPVREHF-DEOSSOPVSA-N
MW471.56 g/mol
LogP-0.07
Rot. Bonds7

About (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 40803564) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID40803564
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Name(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1=O
InChIInChI=1S/C24H33N5O5/c1-24(8-7-19-5-3-2-4-6-19)22(32)29(23(33)25-24)18-21(31)27-11-9-26(10-12-27)17-20(30)28-13-15-34-16-14-28/h2-6H,7-18H2,1H3,(H,25,33)/t24-/m0/s1
InChIKeyJBJWRYGBPVREHF-DEOSSOPVSA-N
XLogP-0.07
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 8507059
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 8507058
(5R)-3-[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 31882390
(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7479984
5-ethyl-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 60623070
3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 18532620
(5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 40798839
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41012964
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 40803564) is (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is JBJWRYGBPVREHF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-24(8-7-19-5-3-2-4-6-19)22(32)29(23(33)25-24)18-21(31)27-11-9-26(10-12-27)17-20(30)28-13-15-34-16-14-28/h2-6H,7-18H2,1H3,(H,25,33)/t24-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 471.56 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 40803564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).