N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide

C26H33N3O2 — CID 68670480

IUPACN-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide
SMILESO=C(NC1(CC(=O)N2CCNCC2Cc2ccccc2)CCCCC1)c1ccccc1
InChIInChI=1S/C26H33N3O2/c30-24(29-17-16-27-20-23(29)18-21-10-4-1-5-11-21)19-26(14-8-3-9-15-26)28-25(31)22-12-6-2-7-13-22/h1-2,4-7,10-13,23,27H,3,8-9,14-20H2,(H,28,31)
InChIKeyJPNIJSADDGWOID-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.55
Rot. Bonds6

About N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide

N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide (PubChem CID 68670480) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide
PubChem CID68670480
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide
SMILESO=C(NC1(CC(=O)N2CCNCC2Cc2ccccc2)CCCCC1)c1ccccc1
InChIInChI=1S/C26H33N3O2/c30-24(29-17-16-27-20-23(29)18-21-10-4-1-5-11-21)19-26(14-8-3-9-15-26)28-25(31)22-12-6-2-7-13-22/h1-2,4-7,10-13,23,27H,3,8-9,14-20H2,(H,28,31)
InChIKeyJPNIJSADDGWOID-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide?
The IUPAC name of N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide (CID 68670480) is N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide.
What is the SMILES notation for N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide?
The canonical SMILES for N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide is O=C(NC1(CC(=O)N2CCNCC2Cc2ccccc2)CCCCC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide?
The InChIKey is JPNIJSADDGWOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-24(29-17-16-27-20-23(29)18-21-10-4-1-5-11-21)19-26(14-8-3-9-15-26)28-25(31)22-12-6-2-7-13-22/h1-2,4-7,10-13,23,27H,3,8-9,14-20H2,(H,28,31).
What are the key properties of N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide?
N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide has a molecular weight of 419.57 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-benzylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]benzamide is sourced from PubChem (CID 68670480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).