(5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione

C26H32N4O3 — CID 92616680

IUPAC(5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@@H](CC(=O)N2CCC(c3ccc(Cc4ccccc4C)cn3)CC2)C1=O
InChIInChI=1S/C26H32N4O3/c1-3-12-30-25(32)23(28-26(30)33)16-24(31)29-13-10-20(11-14-29)22-9-8-19(17-27-22)15-21-7-5-4-6-18(21)2/h4-9,17,20,23H,3,10-16H2,1-2H3,(H,28,33)/t23-/m0/s1
InChIKeyMREUCSSPHLACTL-QHCPKHFHSA-N
MW448.57 g/mol
LogP3.41
Rot. Bonds7

About (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione

(5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (PubChem CID 92616680) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
PubChem CID92616680
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name(5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@@H](CC(=O)N2CCC(c3ccc(Cc4ccccc4C)cn3)CC2)C1=O
InChIInChI=1S/C26H32N4O3/c1-3-12-30-25(32)23(28-26(30)33)16-24(31)29-13-10-20(11-14-29)22-9-8-19(17-27-22)15-21-7-5-4-6-18(21)2/h4-9,17,20,23H,3,10-16H2,1-2H3,(H,28,33)/t23-/m0/s1
InChIKeyMREUCSSPHLACTL-QHCPKHFHSA-N
XLogP3.41
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.41
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

(5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
CID 124749245
1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 92616693
3-(3-chlorophenyl)-2-methyl-1-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110093423
5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 50953559
[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124968009
3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92616486
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
5-[2-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 70736014
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75489932
[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92616651
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 75491171
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 91828409

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (CID 92616680) is (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N[C@@H](CC(=O)N2CCC(c3ccc(Cc4ccccc4C)cn3)CC2)C1=O.
What is the InChIKey of (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The InChIKey is MREUCSSPHLACTL-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-3-12-30-25(32)23(28-26(30)33)16-24(31)29-13-10-20(11-14-29)22-9-8-19(17-27-22)15-21-7-5-4-6-18(21)2/h4-9,17,20,23H,3,10-16H2,1-2H3,(H,28,33)/t23-/m0/s1.
What are the key properties of (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
(5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 448.57 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 92616680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).