cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C22H31N5O — CID 10547894

IUPACcyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H31N5O/c28-22(19-6-2-1-3-7-19)26-14-10-18(11-15-26)16-23-17-20-8-4-9-21(25-20)27-13-5-12-24-27/h4-5,8-9,12-13,18-19,23H,1-3,6-7,10-11,14-17H2
InChIKeyDMLXNKWQCYDQHU-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.18
Rot. Bonds6

About cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10547894) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10547894
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Namecyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H31N5O/c28-22(19-6-2-1-3-7-19)26-14-10-18(11-15-26)16-23-17-20-8-4-9-21(25-20)27-13-5-12-24-27/h4-5,8-9,12-13,18-19,23H,1-3,6-7,10-11,14-17H2
InChIKeyDMLXNKWQCYDQHU-UHFFFAOYSA-N
XLogP3.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10547894) is cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.
What is the InChIKey of cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is DMLXNKWQCYDQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c28-22(19-6-2-1-3-7-19)26-14-10-18(11-15-26)16-23-17-20-8-4-9-21(25-20)27-13-5-12-24-27/h4-5,8-9,12-13,18-19,23H,1-3,6-7,10-11,14-17H2.
What are the key properties of cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 381.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10547894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).