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

C25H37N3O5 — CID 42381499

IUPAC(5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCN(Cc3ccc(OC)c(OC)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O
InChIInChI=1S/C25H37N3O5/c1-4-11-25(23(29)28(24(30)26-25)17-20-6-5-14-33-20)19-9-12-27(13-10-19)16-18-7-8-21(31-2)22(15-18)32-3/h7-8,15,19-20H,4-6,9-14,16-17H2,1-3H3,(H,26,30)/t20-,25-/m1/s1
InChIKeyDIIYROCBKQJSAC-CJFMBICVSA-N
MW459.59 g/mol
LogP3.19
Rot. Bonds9

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

(5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 42381499) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is (5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID42381499
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC Name(5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCN(Cc3ccc(OC)c(OC)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O
InChIInChI=1S/C25H37N3O5/c1-4-11-25(23(29)28(24(30)26-25)17-20-6-5-14-33-20)19-9-12-27(13-10-19)16-18-7-8-21(31-2)22(15-18)32-3/h7-8,15,19-20H,4-6,9-14,16-17H2,1-3H3,(H,26,30)/t20-,25-/m1/s1
InChIKeyDIIYROCBKQJSAC-CJFMBICVSA-N
XLogP3.19
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.19
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

5-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45182219
5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45183182
(5S)-5-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42246851
(5S)-5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 26277668
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
(5S)-5-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42275318
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42274825
5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45185507
(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 42365882
(5S)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethyl-5-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42452261
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione (CID 42381499) is (5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione is CCC[C@]1(C2CCN(Cc3ccc(OC)c(OC)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O.
What is the InChIKey of (5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is DIIYROCBKQJSAC-CJFMBICVSA-N. The full InChI is InChI=1S/C25H37N3O5/c1-4-11-25(23(29)28(24(30)26-25)17-20-6-5-14-33-20)19-9-12-27(13-10-19)16-18-7-8-21(31-2)22(15-18)32-3/h7-8,15,19-20H,4-6,9-14,16-17H2,1-3H3,(H,26,30)/t20-,25-/m1/s1.
What are the key properties of (5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione?
(5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 459.59 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 42381499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).