3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide

C23H35ClN2O2 — CID 45488344

IUPAC3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C23H35ClN2O2/c1-17(2)15-25-23(27)19-8-9-22(21(24)14-19)28-20-10-12-26(13-11-20)16-18-6-4-3-5-7-18/h8-9,14,17-18,20H,3-7,10-13,15-16H2,1-2H3,(H,25,27)
InChIKeyILHOMCIFZCFMRS-UHFFFAOYSA-N
MW407.00 g/mol
LogP5.15
Rot. Bonds7

About 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide

3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide (PubChem CID 45488344) has the molecular formula C23H35ClN2O2 and a molecular weight of 407.00 g/mol. Its IUPAC name is 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide
PubChem CID45488344
Molecular FormulaC23H35ClN2O2
Molecular Weight407.00 g/mol
Exact Mass406.24
IUPAC Name3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C23H35ClN2O2/c1-17(2)15-25-23(27)19-8-9-22(21(24)14-19)28-20-10-12-26(13-11-20)16-18-6-4-3-5-7-18/h8-9,14,17-18,20H,3-7,10-13,15-16H2,1-2H3,(H,25,27)
InChIKeyILHOMCIFZCFMRS-UHFFFAOYSA-N
XLogP5.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.00
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide (CID 45488344) is 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide?
The InChIKey is ILHOMCIFZCFMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O2/c1-17(2)15-25-23(27)19-8-9-22(21(24)14-19)28-20-10-12-26(13-11-20)16-18-6-4-3-5-7-18/h8-9,14,17-18,20H,3-7,10-13,15-16H2,1-2H3,(H,25,27).
What are the key properties of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide?
3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide has a molecular weight of 407.00 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 45488344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).