cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate

C22H33N3O4 — CID 143174119

IUPACcyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc(C3(C(N)=O)CC3)cc2)CC1.OC1CCCCC1
InChIInChI=1S/C16H21N3O3.C6H12O/c1-22-15(21)19-10-8-18(9-11-19)13-4-2-12(3-5-13)16(6-7-16)14(17)20;7-6-4-2-1-3-5-6/h2-5H,6-11H2,1H3,(H2,17,20);6-7H,1-5H2
InChIKeyCHPFAYZTUDALFJ-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.40
Rot. Bonds3

About cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate

cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate (PubChem CID 143174119) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namecyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate
PubChem CID143174119
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Namecyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc(C3(C(N)=O)CC3)cc2)CC1.OC1CCCCC1
InChIInChI=1S/C16H21N3O3.C6H12O/c1-22-15(21)19-10-8-18(9-11-19)13-4-2-12(3-5-13)16(6-7-16)14(17)20;7-6-4-2-1-3-5-6/h2-5H,6-11H2,1H3,(H2,17,20);6-7H,1-5H2
InChIKeyCHPFAYZTUDALFJ-UHFFFAOYSA-N
XLogP2.40
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate?
The IUPAC name of cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate (CID 143174119) is cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate.
What is the SMILES notation for cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate?
The canonical SMILES for cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate is COC(=O)N1CCN(c2ccc(C3(C(N)=O)CC3)cc2)CC1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate?
The InChIKey is CHPFAYZTUDALFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.C6H12O/c1-22-15(21)19-10-8-18(9-11-19)13-4-2-12(3-5-13)16(6-7-16)14(17)20;7-6-4-2-1-3-5-6/h2-5H,6-11H2,1H3,(H2,17,20);6-7H,1-5H2.
What are the key properties of cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate?
cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate has a molecular weight of 403.52 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;methyl 4-[4-(1-carbamoylcyclopropyl)phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 143174119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).