1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione

C15H18ClN3O2 — CID 171406571

IUPAC1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(C3CCNCC3)cc2Cl)C(=O)N1
InChIInChI=1S/C15H18ClN3O2/c16-12-9-11(10-3-6-17-7-4-10)1-2-13(12)19-8-5-14(20)18-15(19)21/h1-2,9-10,17H,3-8H2,(H,18,20,21)
InChIKeyVTWWVRAYYDEOIG-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.25
Rot. Bonds2

About 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione

1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 171406571) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione
PubChem CID171406571
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(C3CCNCC3)cc2Cl)C(=O)N1
InChIInChI=1S/C15H18ClN3O2/c16-12-9-11(10-3-6-17-7-4-10)1-2-13(12)19-8-5-14(20)18-15(19)21/h1-2,9-10,17H,3-8H2,(H,18,20,21)
InChIKeyVTWWVRAYYDEOIG-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione (CID 171406571) is 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(C3CCNCC3)cc2Cl)C(=O)N1.
What is the InChIKey of 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is VTWWVRAYYDEOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-9-11(10-3-6-17-7-4-10)1-2-13(12)19-8-5-14(20)18-15(19)21/h1-2,9-10,17H,3-8H2,(H,18,20,21).
What are the key properties of 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione?
1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 307.78 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171406571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).