1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione

C16H22N4O2 — CID 171406974

IUPAC1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESC[C@@H]1CN[C@@H](C)CN1c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H22N4O2/c1-11-10-20(12(2)9-17-11)14-5-3-13(4-6-14)19-8-7-15(21)18-16(19)22/h3-6,11-12,17H,7-10H2,1-2H3,(H,18,21,22)/t11-,12+/m0/s1
InChIKeyUMSYHUFJHDYKAP-NWDGAFQWSA-N
MW302.38 g/mol
LogP1.32
Rot. Bonds2

About 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione

1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 171406974) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID171406974
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESC[C@@H]1CN[C@@H](C)CN1c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H22N4O2/c1-11-10-20(12(2)9-17-11)14-5-3-13(4-6-14)19-8-7-15(21)18-16(19)22/h3-6,11-12,17H,7-10H2,1-2H3,(H,18,21,22)/t11-,12+/m0/s1
InChIKeyUMSYHUFJHDYKAP-NWDGAFQWSA-N
XLogP1.32
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-(4-chlorophenyl)-2,5-dimethylpiperazine
CID 11572115
(2S,5R)-1-(4-bromophenyl)-2,5-dimethylpiperazine
CID 95472777
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
2,5-dimethyl-1-pyridin-4-ylpiperazine
CID 64983891
1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406933
2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 11565121
(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 70804072
1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
CID 156707562
1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione
CID 177010511
1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
CID 64951879
1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione (CID 171406974) is 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione is C[C@@H]1CN[C@@H](C)CN1c1ccc(N2CCC(=O)NC2=O)cc1.
What is the InChIKey of 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is UMSYHUFJHDYKAP-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-10-20(12(2)9-17-11)14-5-3-13(4-6-14)19-8-7-15(21)18-16(19)22/h3-6,11-12,17H,7-10H2,1-2H3,(H,18,21,22)/t11-,12+/m0/s1.
What are the key properties of 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 302.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171406974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).