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

C16H23N5O3 — CID 124749245

IUPAC(5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@H](CC(=O)N2CCC(c3ccn[nH]3)CC2)C1=O
InChIInChI=1S/C16H23N5O3/c1-2-7-21-15(23)13(18-16(21)24)10-14(22)20-8-4-11(5-9-20)12-3-6-17-19-12/h3,6,11,13H,2,4-5,7-10H2,1H3,(H,17,19)(H,18,24)/t13-/m1/s1
InChIKeyACPGYNVFIHDHIN-CYBMUJFWSA-N
MW333.39 g/mol
LogP0.84
Rot. Bonds5

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

(5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione (PubChem CID 124749245) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
PubChem CID124749245
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name(5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N[C@H](CC(=O)N2CCC(c3ccn[nH]3)CC2)C1=O
InChIInChI=1S/C16H23N5O3/c1-2-7-21-15(23)13(18-16(21)24)10-14(22)20-8-4-11(5-9-20)12-3-6-17-19-12/h3,6,11,13H,2,4-5,7-10H2,1H3,(H,17,19)(H,18,24)/t13-/m1/s1
InChIKeyACPGYNVFIHDHIN-CYBMUJFWSA-N
XLogP0.84
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
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 (5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione (CID 124749245) is (5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N[C@H](CC(=O)N2CCC(c3ccn[nH]3)CC2)C1=O.
What is the InChIKey of (5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione?
The InChIKey is ACPGYNVFIHDHIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-2-7-21-15(23)13(18-16(21)24)10-14(22)20-8-4-11(5-9-20)12-3-6-17-19-12/h3,6,11,13H,2,4-5,7-10H2,1H3,(H,17,19)(H,18,24)/t13-/m1/s1.
What are the key properties of (5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione?
(5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 124749245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).