(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid

C18H32N2O3 — CID 175021017

IUPAC(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid
SMILESCC(=O)N1C(C)(C)CC(N(C(=O)O)C2CCCCC2)CC1(C)C
InChIInChI=1S/C18H32N2O3/c1-13(21)20-17(2,3)11-15(12-18(20,4)5)19(16(22)23)14-9-7-6-8-10-14/h14-15H,6-12H2,1-5H3,(H,22,23)
InChIKeyXQBLTDFYBFJYPX-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.87
Rot. Bonds2

About (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid

(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid (PubChem CID 175021017) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid.

Molecular Properties

Compound Name(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid
PubChem CID175021017
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid
SMILESCC(=O)N1C(C)(C)CC(N(C(=O)O)C2CCCCC2)CC1(C)C
InChIInChI=1S/C18H32N2O3/c1-13(21)20-17(2,3)11-15(12-18(20,4)5)19(16(22)23)14-9-7-6-8-10-14/h14-15H,6-12H2,1-5H3,(H,22,23)
InChIKeyXQBLTDFYBFJYPX-UHFFFAOYSA-N
XLogP3.87
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-dicyclohexyl-1-N,3-N-bis[2,2,6,6-tetramethyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]benzene-1,3-dicarboxamide
CID 19098678
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N-dodecylacetamide
CID 71322405
CID 177498131
CID 177498131
cyclopentyl-(6-methylpiperidin-3-yl)carbamic acid
CID 66990814
acetic acid;cyclohexylcyclohexane
CID 67293698
N-(1-hydroxy-2,2-dimethylpiperidin-4-yl)-N-methylacetamide
CID 142013410
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) but-2-enedioate
CID 154095957
CID 87476940
CID 87476940
2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 78838416
3-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-enoic acid
CID 154500723
[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
CID 151845320
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777

Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid?
The IUPAC name of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid (CID 175021017) is (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid.
What is the SMILES notation for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid?
The canonical SMILES for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid is CC(=O)N1C(C)(C)CC(N(C(=O)O)C2CCCCC2)CC1(C)C.
What is the InChIKey of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid?
The InChIKey is XQBLTDFYBFJYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13(21)20-17(2,3)11-15(12-18(20,4)5)19(16(22)23)14-9-7-6-8-10-14/h14-15H,6-12H2,1-5H3,(H,22,23).
What are the key properties of (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid?
(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid has a molecular weight of 324.47 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-cyclohexylcarbamic acid is sourced from PubChem (CID 175021017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).