1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione

C23H24ClN3O3 — CID 178098837

IUPAC1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CCCC(=O)N1c1ccc(-c2cccc(N3CCC(=O)NC3=O)c2Cl)cc1
InChIInChI=1S/C23H24ClN3O3/c1-23(2)13-4-7-20(29)27(23)16-10-8-15(9-11-16)17-5-3-6-18(21(17)24)26-14-12-19(28)25-22(26)30/h3,5-6,8-11H,4,7,12-14H2,1-2H3,(H,25,28,30)
InChIKeyKLMKOWNYMBZINY-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.75
Rot. Bonds3

About 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione

1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 178098837) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID178098837
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CCCC(=O)N1c1ccc(-c2cccc(N3CCC(=O)NC3=O)c2Cl)cc1
InChIInChI=1S/C23H24ClN3O3/c1-23(2)13-4-7-20(29)27(23)16-10-8-15(9-11-16)17-5-3-6-18(21(17)24)26-14-12-19(28)25-22(26)30/h3,5-6,8-11H,4,7,12-14H2,1-2H3,(H,25,28,30)
InChIKeyKLMKOWNYMBZINY-UHFFFAOYSA-N
XLogP4.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione (CID 178098837) is 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione is CC1(C)CCCC(=O)N1c1ccc(-c2cccc(N3CCC(=O)NC3=O)c2Cl)cc1.
What is the InChIKey of 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is KLMKOWNYMBZINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-23(2)13-4-7-20(29)27(23)16-10-8-15(9-11-16)17-5-3-6-18(21(17)24)26-14-12-19(28)25-22(26)30/h3,5-6,8-11H,4,7,12-14H2,1-2H3,(H,25,28,30).
What are the key properties of 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 425.92 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-[4-(2,2-dimethyl-6-oxopiperidin-1-yl)phenyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178098837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).