(4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate

C16H23N3O4 — CID 139790013

IUPAC(4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate
SMILESCC1(C)CN(OC(=O)c2ccccc2)CC(C)(C)N1OC(N)=O
InChIInChI=1S/C16H23N3O4/c1-15(2)10-18(11-16(3,4)19(15)23-14(17)21)22-13(20)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H2,17,21)
InChIKeyOZTWJDXGRIIOTD-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.94
Rot. Bonds3

About (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate

(4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate (PubChem CID 139790013) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate.

Molecular Properties

Compound Name(4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate
PubChem CID139790013
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name(4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate
SMILESCC1(C)CN(OC(=O)c2ccccc2)CC(C)(C)N1OC(N)=O
InChIInChI=1S/C16H23N3O4/c1-15(2)10-18(11-16(3,4)19(15)23-14(17)21)22-13(20)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H2,17,21)
InChIKeyOZTWJDXGRIIOTD-UHFFFAOYSA-N
XLogP1.94
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,3,5,5-tetramethylpiperazin-1-yl) benzoate
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tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate
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[1-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonyloxy-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
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[(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate
CID 163821924
(1,1-dioxo-1,4-thiazinan-4-yl) benzoate
CID 12708317
[1-(2,2-dimethylpropanoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 22182242
(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
CID 1272692
bis(3,3,5,5-tetramethyl-4-phenylsulfanylpiperazin-1-yl) carbonate
CID 168860197
1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate
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(2-carbamoylpyrrolidin-1-yl) benzoate
CID 126553018

Frequently Asked Questions

What is the IUPAC name of (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate?
The IUPAC name of (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate (CID 139790013) is (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate.
What is the SMILES notation for (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate?
The canonical SMILES for (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate is CC1(C)CN(OC(=O)c2ccccc2)CC(C)(C)N1OC(N)=O.
What is the InChIKey of (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate?
The InChIKey is OZTWJDXGRIIOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-15(2)10-18(11-16(3,4)19(15)23-14(17)21)22-13(20)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H2,17,21).
What are the key properties of (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate?
(4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate has a molecular weight of 321.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate is sourced from PubChem (CID 139790013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).