1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione

C16H22N4O2 — CID 171406933

IUPAC1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESCC[C@H]1CNCCN1c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H22N4O2/c1-2-12-11-17-8-10-19(12)13-3-5-14(6-4-13)20-9-7-15(21)18-16(20)22/h3-6,12,17H,2,7-11H2,1H3,(H,18,21,22)/t12-/m0/s1
InChIKeyWPTPDPDWGCFUQG-LBPRGKRZSA-N
MW302.38 g/mol
LogP1.32
Rot. Bonds3

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

1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 171406933) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID171406933
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESCC[C@H]1CNCCN1c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H22N4O2/c1-2-12-11-17-8-10-19(12)13-3-5-14(6-4-13)20-9-7-15(21)18-16(20)22/h3-6,12,17H,2,7-11H2,1H3,(H,18,21,22)/t12-/m0/s1
InChIKeyWPTPDPDWGCFUQG-LBPRGKRZSA-N
XLogP1.32
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

2-ethyl-1-(4-iodophenyl)piperazine
CID 64931488
2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol
CID 70659457
4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one
CID 138472332
1-[4-(3-fluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione
CID 170737585
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
1-[4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406974
1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406445
1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione
CID 170737571
4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one
CID 138484119
1-[4-[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyrazin-4-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406838
1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
CID 156707562
1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione
CID 177010511

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione (CID 171406933) is 1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione is CC[C@H]1CNCCN1c1ccc(N2CCC(=O)NC2=O)cc1.
What is the InChIKey of 1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is WPTPDPDWGCFUQG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-12-11-17-8-10-19(12)13-3-5-14(6-4-13)20-9-7-15(21)18-16(20)22/h3-6,12,17H,2,7-11H2,1H3,(H,18,21,22)/t12-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 302.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171406933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).