1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone

C23H30N2O2 — CID 7354673

IUPAC1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESC[C@@H]1CCCC[C@@H]1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H30N2O2/c1-18-6-2-5-9-22(18)24-12-14-25(15-13-24)23(26)17-27-21-11-10-19-7-3-4-8-20(19)16-21/h3-4,7-8,10-11,16,18,22H,2,5-6,9,12-15,17H2,1H3/t18-,22+/m1/s1
InChIKeyJJPMFBPUUZHTSC-GCJKJVERSA-N
MW366.50 g/mol
LogP3.94
Rot. Bonds4

About 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone

1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 7354673) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID7354673
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESC[C@@H]1CCCC[C@@H]1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H30N2O2/c1-18-6-2-5-9-22(18)24-12-14-25(15-13-24)23(26)17-27-21-11-10-19-7-3-4-8-20(19)16-21/h3-4,7-8,10-11,16,18,22H,2,5-6,9,12-15,17H2,1H3/t18-,22+/m1/s1
InChIKeyJJPMFBPUUZHTSC-GCJKJVERSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone with MolForge

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Related Compounds

1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
2-(4-methoxyphenoxy)-1-[4-(2-methylcyclohexyl)piperazin-1-yl]ethanone;oxalic acid
CID 17385060
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
1-[4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1148106
1-[4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 6970802
1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;oxalic acid
CID 17369402
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone (CID 7354673) is 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone is C[C@@H]1CCCC[C@@H]1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is JJPMFBPUUZHTSC-GCJKJVERSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18-6-2-5-9-22(18)24-12-14-25(15-13-24)23(26)17-27-21-11-10-19-7-3-4-8-20(19)16-21/h3-4,7-8,10-11,16,18,22H,2,5-6,9,12-15,17H2,1H3/t18-,22+/m1/s1.
What are the key properties of 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 366.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 7354673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).