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

C24H29N3O4 — CID 42378416

IUPAC(5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C2CCN(C(=O)c3ccc(C)cc3)CC2)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C24H29N3O4/c1-3-12-24(22(29)27(23(30)25-24)16-20-5-4-15-31-20)19-10-13-26(14-11-19)21(28)18-8-6-17(2)7-9-18/h4-9,15,19H,3,10-14,16H2,1-2H3,(H,25,30)/t24-/m0/s1
InChIKeyCPXKOBLGYOQJPW-DEOSSOPVSA-N
MW423.51 g/mol
LogP3.73
Rot. Bonds6

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

(5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione (PubChem CID 42378416) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
PubChem CID42378416
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(C2CCN(C(=O)c3ccc(C)cc3)CC2)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C24H29N3O4/c1-3-12-24(22(29)27(23(30)25-24)16-20-5-4-15-31-20)19-10-13-26(14-11-19)21(28)18-8-6-17(2)7-9-18/h4-9,15,19H,3,10-14,16H2,1-2H3,(H,25,30)/t24-/m0/s1
InChIKeyCPXKOBLGYOQJPW-DEOSSOPVSA-N
XLogP3.73
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione (CID 42378416) is (5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione is CCC[C@@]1(C2CCN(C(=O)c3ccc(C)cc3)CC2)NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of (5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
The InChIKey is CPXKOBLGYOQJPW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-12-24(22(29)27(23(30)25-24)16-20-5-4-15-31-20)19-10-13-26(14-11-19)21(28)18-8-6-17(2)7-9-18/h4-9,15,19H,3,10-14,16H2,1-2H3,(H,25,30)/t24-/m0/s1.
What are the key properties of (5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione?
(5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione has a molecular weight of 423.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 42378416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).