(5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

C18H29N5O2 — CID 95206967

IUPAC(5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCNCC2)NC(=O)N(CCn2ccnc2CC)C1=O
InChIInChI=1S/C18H29N5O2/c1-3-7-18(14-5-8-19-9-6-14)16(24)23(17(25)21-18)13-12-22-11-10-20-15(22)4-2/h10-11,14,19H,3-9,12-13H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyUYSJLCUDHUSNBE-GOSISDBHSA-N
MW347.46 g/mol
LogP1.54
Rot. Bonds7

About (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

(5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (PubChem CID 95206967) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
PubChem CID95206967
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C2CCNCC2)NC(=O)N(CCn2ccnc2CC)C1=O
InChIInChI=1S/C18H29N5O2/c1-3-7-18(14-5-8-19-9-6-14)16(24)23(17(25)21-18)13-12-22-11-10-20-15(22)4-2/h10-11,14,19H,3-9,12-13H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyUYSJLCUDHUSNBE-GOSISDBHSA-N
XLogP1.54
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95219594
4-[2-[(4R)-2,5-dioxo-4-piperidin-4-yl-4-propylimidazolidin-1-yl]ethyl]benzonitrile
CID 95223916
5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56723377
3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 56713349
5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride
CID 154885329
(5R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95204092
(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95219274
5-[(4-fluorophenyl)methyl]-3-(2-imidazol-1-ylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56716219
(5S)-3-[(5-methoxy-4-oxopyran-2-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95226226
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56707190
5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 56714637
(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95202564

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (CID 95206967) is (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is CCC[C@]1(C2CCNCC2)NC(=O)N(CCn2ccnc2CC)C1=O.
What is the InChIKey of (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The InChIKey is UYSJLCUDHUSNBE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-7-18(14-5-8-19-9-6-14)16(24)23(17(25)21-18)13-12-22-11-10-20-15(22)4-2/h10-11,14,19H,3-9,12-13H2,1-2H3,(H,21,25)/t18-/m1/s1.
What are the key properties of (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
(5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione has a molecular weight of 347.46 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(2-ethylimidazol-1-yl)ethyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 95206967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).