6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one

C18H26N4O3 — CID 56874761

IUPAC6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C3CNCC(=O)N3)CC2(C)C)c1
InChIInChI=1S/C18H26N4O3/c1-18(2)12-21(17(24)15-10-19-11-16(23)20-15)7-8-22(18)13-5-4-6-14(9-13)25-3/h4-6,9,15,19H,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyYZCNTBJKZJJZOL-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.21
Rot. Bonds3

About 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one

6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one (PubChem CID 56874761) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one
PubChem CID56874761
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C3CNCC(=O)N3)CC2(C)C)c1
InChIInChI=1S/C18H26N4O3/c1-18(2)12-21(17(24)15-10-19-11-16(23)20-15)7-8-22(18)13-5-4-6-14(9-13)25-3/h4-6,9,15,19H,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyYZCNTBJKZJJZOL-UHFFFAOYSA-N
XLogP0.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]piperazin-2-one
CID 70743927
(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
CID 97134489
(2,2-dimethyloxan-4-yl)-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone
CID 70722230
1-(3-methoxyphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020135
6-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]piperazin-2-one
CID 70784302
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone
CID 131912533
3-[4-(4-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 70709388
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70752683
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70770006
[(1S)-2,2-dichloro-1-methylcyclopropyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 41038064
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 95722186

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one?
The IUPAC name of 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one (CID 56874761) is 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one?
The canonical SMILES for 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one is COc1cccc(N2CCN(C(=O)C3CNCC(=O)N3)CC2(C)C)c1.
What is the InChIKey of 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one?
The InChIKey is YZCNTBJKZJJZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2)12-21(17(24)15-10-19-11-16(23)20-15)7-8-22(18)13-5-4-6-14(9-13)25-3/h4-6,9,15,19H,7-8,10-12H2,1-3H3,(H,20,23).
What are the key properties of 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one?
6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one has a molecular weight of 346.43 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 56874761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).