N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C24H31N3O2 — CID 24791264

IUPACN-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCCC1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c28-24(26-20-6-2-1-3-7-20)19-9-11-22(12-10-19)29-23-13-16-27(17-14-23)18-21-8-4-5-15-25-21/h4-5,8-12,15,20,23H,1-3,6-7,13-14,16-18H2,(H,26,28)
InChIKeyFFWRDZGSMCHPCD-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.19
Rot. Bonds6

About N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24791264) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24791264
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCCC1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c28-24(26-20-6-2-1-3-7-20)19-9-11-22(12-10-19)29-23-13-16-27(17-14-23)18-21-8-4-5-15-25-21/h4-5,8-12,15,20,23H,1-3,6-7,13-14,16-18H2,(H,26,28)
InChIKeyFFWRDZGSMCHPCD-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24791264) is N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NC1CCCCC1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is FFWRDZGSMCHPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-24(26-20-6-2-1-3-7-20)19-9-11-22(12-10-19)29-23-13-16-27(17-14-23)18-21-8-4-5-15-25-21/h4-5,8-12,15,20,23H,1-3,6-7,13-14,16-18H2,(H,26,28).
What are the key properties of N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 393.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24791264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).