3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

C19H23N5O3 — CID 97275588

About 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione (PubChem CID 97275588) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
• PubChem CID: 97275588
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
• SMILES: Cn1c([C@H]2CCCN(C(=O)CN3C(=O)CCNC3=O)C2)nc2ccccc21
• InChI: InChI=1S/C19H23N5O3/c1-22-15-7-3-2-6-14(15)21-18(22)13-5-4-10-23(11-13)17(26)12-24-16(25)8-9-20-19(24)27/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,20,27)/t13-/m0/s1
• InChIKey: WVRZTIJSVXHTMV-ZDUSSCGKSA-N
• XLogP: 1.22
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?

The IUPAC name of 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione (CID 97275588) is 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione is Cn1c([C@H]2CCCN(C(=O)CN3C(=O)CCNC3=O)C2)nc2ccccc21.

What is the InChIKey of 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?

The InChIKey is WVRZTIJSVXHTMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-22-15-7-3-2-6-14(15)21-18(22)13-5-4-10-23(11-13)17(26)12-24-16(25)8-9-20-19(24)27/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,20,27)/t13-/m0/s1.

What are the key properties of 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione?

3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione has a molecular weight of 369.43 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 97275588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).