1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione

C16H20N4O3 — CID 119577791

IUPAC1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione
SMILESCC1CN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CCN1
InChIInChI=1S/C16H20N4O3/c1-11-10-19(9-8-17-11)16(23)12-2-4-13(5-3-12)20-15(22)7-6-14(21)18-20/h2-5,11,17H,6-10H2,1H3,(H,18,21)
InChIKeyWSSGQQPVUWWSOD-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.28
Rot. Bonds2

About 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione

1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione (PubChem CID 119577791) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione.

Molecular Properties

Compound Name1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione
PubChem CID119577791
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione
SMILESCC1CN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CCN1
InChIInChI=1S/C16H20N4O3/c1-11-10-19(9-8-17-11)16(23)12-2-4-13(5-3-12)20-15(22)7-6-14(21)18-20/h2-5,11,17H,6-10H2,1H3,(H,18,21)
InChIKeyWSSGQQPVUWWSOD-UHFFFAOYSA-N
XLogP0.28
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
[(3S)-3-methylpiperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124693440
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124684035
6-(3-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577687
1-[4-(2-methylpropanoyl)phenyl]diazinane-3,6-dione
CID 164909792
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
5-(3-methylpiperazine-1-carbonyl)pyran-2-one
CID 65447478
3-[[4-(3-methylpiperazine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 119576948
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 104891401

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione?
The IUPAC name of 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione (CID 119577791) is 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione.
What is the SMILES notation for 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione?
The canonical SMILES for 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione is CC1CN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CCN1.
What is the InChIKey of 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione?
The InChIKey is WSSGQQPVUWWSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-10-19(9-8-17-11)16(23)12-2-4-13(5-3-12)20-15(22)7-6-14(21)18-20/h2-5,11,17H,6-10H2,1H3,(H,18,21).
What are the key properties of 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione?
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione has a molecular weight of 316.36 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione is sourced from PubChem (CID 119577791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).