(5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione

C18H28N4O4 — CID 164630414

IUPAC(5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@@H](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1=O
InChIInChI=1S/C18H28N4O4/c1-2-7-22-17(25)14(19-18(22)26)12-15(23)20-10-5-13(6-11-20)16(24)21-8-3-4-9-21/h13-14H,2-12H2,1H3,(H,19,26)/t14-/m0/s1
InChIKeyKMPIRMMXCLXRHQ-AWEZNQCLSA-N
MW364.45 g/mol
LogP0.57
Rot. Bonds5

About (5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione

(5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione (PubChem CID 164630414) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
PubChem CID164630414
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name(5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@@H](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1=O
InChIInChI=1S/C18H28N4O4/c1-2-7-22-17(25)14(19-18(22)26)12-15(23)20-10-5-13(6-11-20)16(24)21-8-3-4-9-21/h13-14H,2-12H2,1H3,(H,19,26)/t14-/m0/s1
InChIKeyKMPIRMMXCLXRHQ-AWEZNQCLSA-N
XLogP0.57
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.57
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)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione (CID 164630414) is (5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N[C@@H](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1=O.
What is the InChIKey of (5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione?
The InChIKey is KMPIRMMXCLXRHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-2-7-22-17(25)14(19-18(22)26)12-15(23)20-10-5-13(6-11-20)16(24)21-8-3-4-9-21/h13-14H,2-12H2,1H3,(H,19,26)/t14-/m0/s1.
What are the key properties of (5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione?
(5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 164630414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).