methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate

C17H28N2O4 — CID 136581529

IUPACmethyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N2CCN(C(C)=O)CC2(C)C)CC1
InChIInChI=1S/C17H28N2O4/c1-12(20)18-9-10-19(17(2,3)11-18)15(21)13-5-7-14(8-6-13)16(22)23-4/h13-14H,5-11H2,1-4H3
InChIKeyPVYDTCAIZOHOQG-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.44
Rot. Bonds2

About methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate

methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate (PubChem CID 136581529) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate
PubChem CID136581529
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Namemethyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N2CCN(C(C)=O)CC2(C)C)CC1
InChIInChI=1S/C17H28N2O4/c1-12(20)18-9-10-19(17(2,3)11-18)15(21)13-5-7-14(8-6-13)16(22)23-4/h13-14H,5-11H2,1-4H3
InChIKeyPVYDTCAIZOHOQG-UHFFFAOYSA-N
XLogP1.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
methyl 4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808697
1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one
CID 132971515
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
1-[4-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)piperidin-1-yl]ethanone
CID 110746697
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate
CID 175871812
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate (CID 136581529) is methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate is COC(=O)C1CCC(C(=O)N2CCN(C(C)=O)CC2(C)C)CC1.
What is the InChIKey of methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate?
The InChIKey is PVYDTCAIZOHOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(20)18-9-10-19(17(2,3)11-18)15(21)13-5-7-14(8-6-13)16(22)23-4/h13-14H,5-11H2,1-4H3.
What are the key properties of methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate?
methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 136581529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).