(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione

C28H40N4O4 — CID 42365882

IUPAC(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O
InChIInChI=1S/C28H40N4O4/c1-2-14-28(26(34)32(27(35)29-28)20-24-7-6-19-36-24)22-12-17-31(18-13-22)25(33)21-8-10-23(11-9-21)30-15-4-3-5-16-30/h8-11,22,24H,2-7,12-20H2,1H3,(H,29,35)/t24-,28-/m1/s1
InChIKeyNXRFOGIEKQZWPY-UFHPHHKVSA-N
MW496.65 g/mol
LogP3.80
Rot. Bonds7

About (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione

(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione (PubChem CID 42365882) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
PubChem CID42365882
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC Name(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O
InChIInChI=1S/C28H40N4O4/c1-2-14-28(26(34)32(27(35)29-28)20-24-7-6-19-36-24)22-12-17-31(18-13-22)25(33)21-8-10-23(11-9-21)30-15-4-3-5-16-30/h8-11,22,24H,2-7,12-20H2,1H3,(H,29,35)/t24-,28-/m1/s1
InChIKeyNXRFOGIEKQZWPY-UFHPHHKVSA-N
XLogP3.80
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 42274286
3-(oxolan-2-ylmethyl)-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 45195401
5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45185507
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42274825
(5S)-5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 26277668
(5S)-5-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42275318
N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 26278516
5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45183182
(5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42190493
5-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45182219
(5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42381499
(5S)-5-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42246851

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione (CID 42365882) is (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione is CCC[C@]1(C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O.
What is the InChIKey of (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The InChIKey is NXRFOGIEKQZWPY-UFHPHHKVSA-N. The full InChI is InChI=1S/C28H40N4O4/c1-2-14-28(26(34)32(27(35)29-28)20-24-7-6-19-36-24)22-12-17-31(18-13-22)25(33)21-8-10-23(11-9-21)30-15-4-3-5-16-30/h8-11,22,24H,2-7,12-20H2,1H3,(H,29,35)/t24-,28-/m1/s1.
What are the key properties of (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione has a molecular weight of 496.65 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 42365882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).