(5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione

C17H20N6O2 — CID 95219951

IUPAC(5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](c2cccnc2)(C2CCN(Cc3cnc[nH]3)CC2)N1
InChIInChI=1S/C17H20N6O2/c24-15-17(22-16(25)21-15,13-2-1-5-18-8-13)12-3-6-23(7-4-12)10-14-9-19-11-20-14/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,19,20)(H2,21,22,24,25)/t17-/m1/s1
InChIKeyVTPFQNCPHNPJTA-QGZVFWFLSA-N
MW340.39 g/mol
LogP0.75
Rot. Bonds4

About (5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione

(5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 95219951) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID95219951
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](c2cccnc2)(C2CCN(Cc3cnc[nH]3)CC2)N1
InChIInChI=1S/C17H20N6O2/c24-15-17(22-16(25)21-15,13-2-1-5-18-8-13)12-3-6-23(7-4-12)10-14-9-19-11-20-14/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,19,20)(H2,21,22,24,25)/t17-/m1/s1
InChIKeyVTPFQNCPHNPJTA-QGZVFWFLSA-N
XLogP0.75
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.75
H-Bond Donors ≤ 53
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-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 95219951) is (5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione is O=C1NC(=O)[C@](c2cccnc2)(C2CCN(Cc3cnc[nH]3)CC2)N1.
What is the InChIKey of (5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is VTPFQNCPHNPJTA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15-17(22-16(25)21-15,13-2-1-5-18-8-13)12-3-6-23(7-4-12)10-14-9-19-11-20-14/h1-2,5,8-9,11-12H,3-4,6-7,10H2,(H,19,20)(H2,21,22,24,25)/t17-/m1/s1.
What are the key properties of (5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
(5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 340.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95219951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).