methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate

C18H30N4O2 — CID 75503439

IUPACmethyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NCc2cn(C)nc2C2CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-21-13-15(17(20-21)14-6-4-3-5-7-14)12-19-16-8-10-22(11-9-16)18(23)24-2/h13-14,16,19H,3-12H2,1-2H3
InChIKeyBPHYAYOGZFCJQY-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.79
Rot. Bonds4

About methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate

methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate (PubChem CID 75503439) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
PubChem CID75503439
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Namemethyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NCc2cn(C)nc2C2CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-21-13-15(17(20-21)14-6-4-3-5-7-14)12-19-16-8-10-22(11-9-16)18(23)24-2/h13-14,16,19H,3-12H2,1-2H3
InChIKeyBPHYAYOGZFCJQY-UHFFFAOYSA-N
XLogP2.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate (CID 75503439) is methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate is COC(=O)N1CCC(NCc2cn(C)nc2C2CCCCC2)CC1.
What is the InChIKey of methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is BPHYAYOGZFCJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-21-13-15(17(20-21)14-6-4-3-5-7-14)12-19-16-8-10-22(11-9-16)18(23)24-2/h13-14,16,19H,3-12H2,1-2H3.
What are the key properties of methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate?
methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 75503439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).