4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide

C18H31N3O2 — CID 111702336

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C18H31N3O2/c22-16-5-3-15(4-6-16)19-18(23)21-9-7-20(8-10-21)17-12-13-1-2-14(17)11-13/h13-17,22H,1-12H2,(H,19,23)
InChIKeyAASLXMHXFQBVBJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.81
Rot. Bonds2

About 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide

4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide (PubChem CID 111702336) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide
PubChem CID111702336
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C18H31N3O2/c22-16-5-3-15(4-6-16)19-18(23)21-9-7-20(8-10-21)17-12-13-1-2-14(17)11-13/h13-17,22H,1-12H2,(H,19,23)
InChIKeyAASLXMHXFQBVBJ-UHFFFAOYSA-N
XLogP1.81
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bicyclo[2.2.1]heptanyl)-N-(5-hydroxy-4,4-dimethylpentyl)piperazine-1-carboxamide
CID 71857216
4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-hydroxy-4,4-dimethylpentyl)piperazine-1-carboxamide
CID 98800181
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-hydroxy-4,4-dimethylpentyl)piperazine-1-carboxamide
CID 98800182
4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide
CID 110908516
N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide
CID 111384868
4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111722455
4-(2-bicyclo[2.2.1]heptanyl)-N-(5-hydroxypentan-2-yl)piperazine-1-carboxamide
CID 112143377
1-(4-Hydroxycyclohexyl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 112437177

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide (CID 111702336) is 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide?
The InChIKey is AASLXMHXFQBVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c22-16-5-3-15(4-6-16)19-18(23)21-9-7-20(8-10-21)17-12-13-1-2-14(17)11-13/h13-17,22H,1-12H2,(H,19,23).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide?
4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 111702336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).