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

C24H37ClN2O2 — CID 45488546

IUPAC3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C24H37ClN2O2/c1-3-18(2)16-26-24(28)20-9-10-23(22(25)15-20)29-21-11-13-27(14-12-21)17-19-7-5-4-6-8-19/h9-10,15,18-19,21H,3-8,11-14,16-17H2,1-2H3,(H,26,28)
InChIKeyCAQWFVVXDRCHJT-UHFFFAOYSA-N
MW421.03 g/mol
LogP5.54
Rot. Bonds8

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

3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide (PubChem CID 45488546) has the molecular formula C24H37ClN2O2 and a molecular weight of 421.03 g/mol. Its IUPAC name is 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide
PubChem CID45488546
Molecular FormulaC24H37ClN2O2
Molecular Weight421.03 g/mol
Exact Mass420.25
IUPAC Name3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C24H37ClN2O2/c1-3-18(2)16-26-24(28)20-9-10-23(22(25)15-20)29-21-11-13-27(14-12-21)17-19-7-5-4-6-8-19/h9-10,15,18-19,21H,3-8,11-14,16-17H2,1-2H3,(H,26,28)
InChIKeyCAQWFVVXDRCHJT-UHFFFAOYSA-N
XLogP5.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.03
LogP ≤ 55.54
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-methylbutyl)benzamide?
The IUPAC name of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide (CID 45488546) is 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide?
The canonical SMILES for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide is CCC(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-methylbutyl)benzamide?
The InChIKey is CAQWFVVXDRCHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37ClN2O2/c1-3-18(2)16-26-24(28)20-9-10-23(22(25)15-20)29-21-11-13-27(14-12-21)17-19-7-5-4-6-8-19/h9-10,15,18-19,21H,3-8,11-14,16-17H2,1-2H3,(H,26,28).
What are the key properties of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide?
3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methylbutyl)benzamide has a molecular weight of 421.03 g/mol, XLogP of 5.54, 8 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-methylbutyl)benzamide is sourced from PubChem (CID 45488546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).