1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione

C15H19ClN4O2 — CID 170951885

IUPAC1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESCN1CCN(c2ccc(Cl)c(N3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C15H19ClN4O2/c1-18-6-8-19(9-7-18)11-2-3-12(16)13(10-11)20-5-4-14(21)17-15(20)22/h2-3,10H,4-9H2,1H3,(H,17,21,22)
InChIKeyHYOXXOOTQJHDRJ-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.54
Rot. Bonds2

About 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione

1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 170951885) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID170951885
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESCN1CCN(c2ccc(Cl)c(N3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C15H19ClN4O2/c1-18-6-8-19(9-7-18)11-2-3-12(16)13(10-11)20-5-4-14(21)17-15(20)22/h2-3,10H,4-9H2,1H3,(H,17,21,22)
InChIKeyHYOXXOOTQJHDRJ-UHFFFAOYSA-N
XLogP1.54
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione
CID 79776913
tert-butyl 4-[3-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazine-1-carboxylate
CID 175959318
1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione
CID 167463577
4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzaldehyde;5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane;ethane
CID 176558054
1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 79776901
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
1-(2-methyl-3-oxo-1H-isoindol-5-yl)-1,3-diazinane-2,4-dione
CID 163231144
1-(1-methyl-2-oxo-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 155261434
1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167282782
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione
CID 91202663
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
CID 23660792

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione (CID 170951885) is 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione is CN1CCN(c2ccc(Cl)c(N3CCC(=O)NC3=O)c2)CC1.
What is the InChIKey of 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is HYOXXOOTQJHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-18-6-8-19(9-7-18)11-2-3-12(16)13(10-11)20-5-4-14(21)17-15(20)22/h2-3,10H,4-9H2,1H3,(H,17,21,22).
What are the key properties of 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione?
1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 322.80 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170951885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).