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

C26H40ClN3O2 — CID 45489137

IUPAC3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C26H40ClN3O2/c27-24-19-22(26(31)28-13-18-29-14-5-2-6-15-29)9-10-25(24)32-23-11-16-30(17-12-23)20-21-7-3-1-4-8-21/h9-10,19,21,23H,1-8,11-18,20H2,(H,28,31)
InChIKeyNGZWCUIMKYQWJX-UHFFFAOYSA-N
MW462.08 g/mol
LogP4.98
Rot. Bonds8

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

3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 45489137) has the molecular formula C26H40ClN3O2 and a molecular weight of 462.08 g/mol. Its IUPAC name is 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID45489137
Molecular FormulaC26H40ClN3O2
Molecular Weight462.08 g/mol
Exact Mass461.28
IUPAC Name3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C26H40ClN3O2/c27-24-19-22(26(31)28-13-18-29-14-5-2-6-15-29)9-10-25(24)32-23-11-16-30(17-12-23)20-21-7-3-1-4-8-21/h9-10,19,21,23H,1-8,11-18,20H2,(H,28,31)
InChIKeyNGZWCUIMKYQWJX-UHFFFAOYSA-N
XLogP4.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.08
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide (CID 45489137) is 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is NGZWCUIMKYQWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40ClN3O2/c27-24-19-22(26(31)28-13-18-29-14-5-2-6-15-29)9-10-25(24)32-23-11-16-30(17-12-23)20-21-7-3-1-4-8-21/h9-10,19,21,23H,1-8,11-18,20H2,(H,28,31).
What are the key properties of 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide?
3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 462.08 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 45489137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).