2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C23H35N3O2 — CID 51003171

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1cccc2c1CCC[C@H]2NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H35N3O2/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/h6,9,12,18,21H,2-5,7-8,10-11,13-17H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyJWRYZMCPPMCZRQ-OAQYLSRUSA-N
MW385.55 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 51003171) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID51003171
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1cccc2c1CCC[C@H]2NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H35N3O2/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/h6,9,12,18,21H,2-5,7-8,10-11,13-17H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyJWRYZMCPPMCZRQ-OAQYLSRUSA-N
XLogP3.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide with MolForge

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Related Compounds

N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 51003104
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 118720492
3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10611920
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10764762
1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine
CID 11281378
1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
CID 11428679
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9168063
N-cyclopropyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83910112
1-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 119317483
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34424370
1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
CID 143500480
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-morpholin-4-ylacetamide
CID 91793858

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 51003171) is 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1cccc2c1CCC[C@H]2NC(=O)CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is JWRYZMCPPMCZRQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H35N3O2/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/h6,9,12,18,21H,2-5,7-8,10-11,13-17H2,1H3,(H,24,27)/t21-/m1/s1.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 385.55 g/mol, XLogP of 3.14, 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-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 51003171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).