(5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione

C24H38N4O3 — CID 26399634

IUPAC(5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCN(Cc3ccc(C)o3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O
InChIInChI=1S/C24H38N4O3/c1-4-12-24(19-9-14-27(15-10-19)17-21-8-7-18(2)31-21)22(29)28(23(30)25-24)16-11-20-6-5-13-26(20)3/h7-8,19-20H,4-6,9-17H2,1-3H3,(H,25,30)/t20-,24+/m0/s1
InChIKeyMFMJSAISMJCGFH-GBXCKJPGSA-N
MW430.59 g/mol
LogP3.38
Rot. Bonds8

About (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione

(5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 26399634) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
PubChem CID26399634
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name(5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCN(Cc3ccc(C)o3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O
InChIInChI=1S/C24H38N4O3/c1-4-12-24(19-9-14-27(15-10-19)17-21-8-7-18(2)31-21)22(29)28(23(30)25-24)16-11-20-6-5-13-26(20)3/h7-8,19-20H,4-6,9-17H2,1-3H3,(H,25,30)/t20-,24+/m0/s1
InChIKeyMFMJSAISMJCGFH-GBXCKJPGSA-N
XLogP3.38
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione (CID 26399634) is (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione is CCC[C@]1(C2CCN(Cc3ccc(C)o3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O.
What is the InChIKey of (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is MFMJSAISMJCGFH-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-4-12-24(19-9-14-27(15-10-19)17-21-8-7-18(2)31-21)22(29)28(23(30)25-24)16-11-20-6-5-13-26(20)3/h7-8,19-20H,4-6,9-17H2,1-3H3,(H,25,30)/t20-,24+/m0/s1.
What are the key properties of (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione?
(5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 430.59 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 26399634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).