3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C20H32N6O2 — CID 97339539

IUPAC3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)C1=O
InChIInChI=1S/C20H32N6O2/c1-20(2)18(27)26(19(28)22-20)12-11-25-10-6-9-15(13-25)17-21-16(23-24-17)14-7-4-3-5-8-14/h14-15H,3-13H2,1-2H3,(H,22,28)(H,21,23,24)/t15-/m0/s1
InChIKeyFVHDPNXBBJOESZ-HNNXBMFYSA-N
MW388.52 g/mol
LogP2.36
Rot. Bonds5

About 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 97339539) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID97339539
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC Name3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)C1=O
InChIInChI=1S/C20H32N6O2/c1-20(2)18(27)26(19(28)22-20)12-11-25-10-6-9-15(13-25)17-21-16(23-24-17)14-7-4-3-5-8-14/h14-15H,3-13H2,1-2H3,(H,22,28)(H,21,23,24)/t15-/m0/s1
InChIKeyFVHDPNXBBJOESZ-HNNXBMFYSA-N
XLogP2.36
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.36
H-Bond Donors ≤ 52
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 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 97339539) is 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)C1=O.
What is the InChIKey of 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FVHDPNXBBJOESZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-20(2)18(27)26(19(28)22-20)12-11-25-10-6-9-15(13-25)17-21-16(23-24-17)14-7-4-3-5-8-14/h14-15H,3-13H2,1-2H3,(H,22,28)(H,21,23,24)/t15-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 388.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 97339539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).