(5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione

C25H31N3O5 — CID 26275125

IUPAC(5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C25H31N3O5/c1-3-13-25(23(30)28(24(31)26-25)17-21-10-7-16-32-21)19-11-14-27(15-12-19)22(29)18(2)33-20-8-5-4-6-9-20/h4-10,16,18-19H,3,11-15,17H2,1-2H3,(H,26,31)/t18-,25+/m1/s1
InChIKeySJCOKVPLKGWLBP-CJAUYULYSA-N
MW453.54 g/mol
LogP3.58
Rot. Bonds8

About (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione

(5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione (PubChem CID 26275125) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
PubChem CID26275125
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name(5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C25H31N3O5/c1-3-13-25(23(30)28(24(31)26-25)17-21-10-7-16-32-21)19-11-14-27(15-12-19)22(29)18(2)33-20-8-5-4-6-9-20/h4-10,16,18-19H,3,11-15,17H2,1-2H3,(H,26,31)/t18-,25+/m1/s1
InChIKeySJCOKVPLKGWLBP-CJAUYULYSA-N
XLogP3.58
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.58
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

3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 118754358
5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45168671
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27396914
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42274825
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
3-[(2S)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 95582702
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
(5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 42472635
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42373156

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione (CID 26275125) is (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione is CCC[C@@]1(C2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The InChIKey is SJCOKVPLKGWLBP-CJAUYULYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-3-13-25(23(30)28(24(31)26-25)17-21-10-7-16-32-21)19-11-14-27(15-12-19)22(29)18(2)33-20-8-5-4-6-9-20/h4-10,16,18-19H,3,11-15,17H2,1-2H3,(H,26,31)/t18-,25+/m1/s1.
What are the key properties of (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
(5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione has a molecular weight of 453.54 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 26275125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).