2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide

C23H31N3O2 — CID 51003167

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide
SMILESCOc1cccc2c(NC(=O)CN3CCN(C4CCCCC4)CC3)cccc12
InChIInChI=1S/C23H31N3O2/c1-28-22-12-6-9-19-20(22)10-5-11-21(19)24-23(27)17-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,24,27)
InChIKeyBICKWTLGNVACLU-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.74
Rot. Bonds5

About 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide

2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide (PubChem CID 51003167) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide
PubChem CID51003167
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide
SMILESCOc1cccc2c(NC(=O)CN3CCN(C4CCCCC4)CC3)cccc12
InChIInChI=1S/C23H31N3O2/c1-28-22-12-6-9-19-20(22)10-5-11-21(19)24-23(27)17-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,24,27)
InChIKeyBICKWTLGNVACLU-UHFFFAOYSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 131906
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
(6R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-6-[(naphthalen-2-yloxy)methyl]piperazin-2-one
CID 11214666
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-amine
CID 10453320
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(naphthalen-1-yl)piperazine
CID 10938233
3-Methoxy-N-[2-(4-naphthalen-1-yl-piperazin-1-yl)-ethyl]-benzamide
CID 11090403
4-(18F)fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl](18F)benzamide
CID 11582219
4-fluoro-N-[2-[4-(7-(111C)methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 11618364
3-Methoxy-N-[4-(4-naphthalen-1-yl-piperazin-1-yl)-butyl]-benzamide
CID 11811808
N-[2-(3-(3-Methylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579115
N-[2-(3-(3-Dimethylaminophenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579163

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide (CID 51003167) is 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide is COc1cccc2c(NC(=O)CN3CCN(C4CCCCC4)CC3)cccc12.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide?
The InChIKey is BICKWTLGNVACLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-28-22-12-6-9-19-20(22)10-5-11-21(19)24-23(27)17-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,24,27).
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide?
2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-N-(5-methoxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 51003167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).