3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide

C22H33ClN2O2 — CID 45488458

IUPAC3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C22H33ClN2O2/c1-16(2)24-22(26)18-8-9-21(20(23)14-18)27-19-10-12-25(13-11-19)15-17-6-4-3-5-7-17/h8-9,14,16-17,19H,3-7,10-13,15H2,1-2H3,(H,24,26)
InChIKeyOZEDVIZDULTJGU-UHFFFAOYSA-N
MW392.97 g/mol
LogP4.90
Rot. Bonds6

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

3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide (PubChem CID 45488458) has the molecular formula C22H33ClN2O2 and a molecular weight of 392.97 g/mol. Its IUPAC name is 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide
PubChem CID45488458
Molecular FormulaC22H33ClN2O2
Molecular Weight392.97 g/mol
Exact Mass392.22
IUPAC Name3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C22H33ClN2O2/c1-16(2)24-22(26)18-8-9-21(20(23)14-18)27-19-10-12-25(13-11-19)15-17-6-4-3-5-7-17/h8-9,14,16-17,19H,3-7,10-13,15H2,1-2H3,(H,24,26)
InChIKeyOZEDVIZDULTJGU-UHFFFAOYSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.97
LogP ≤ 54.90
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-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide (CID 45488458) is 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide?
The InChIKey is OZEDVIZDULTJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O2/c1-16(2)24-22(26)18-8-9-21(20(23)14-18)27-19-10-12-25(13-11-19)15-17-6-4-3-5-7-17/h8-9,14,16-17,19H,3-7,10-13,15H2,1-2H3,(H,24,26).
What are the key properties of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide?
3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-propan-2-ylbenzamide has a molecular weight of 392.97 g/mol, XLogP of 4.90, 6 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-propan-2-ylbenzamide is sourced from PubChem (CID 45488458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).