1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone

C24H32N2O2 — CID 10452388

IUPAC1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN([C@@H]2CCCC[C@H]2OCCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H32N2O2/c1-19(27)25-13-15-26(16-14-25)23-8-4-5-9-24(23)28-17-12-20-10-11-21-6-2-3-7-22(21)18-20/h2-3,6-7,10-11,18,23-24H,4-5,8-9,12-17H2,1H3/t23-,24-/m1/s1
InChIKeyOTFDBJMVCAGHEW-DNQXCXABSA-N
MW380.53 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone

1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone (PubChem CID 10452388) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone
PubChem CID10452388
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN([C@@H]2CCCC[C@H]2OCCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H32N2O2/c1-19(27)25-13-15-26(16-14-25)23-8-4-5-9-24(23)28-17-12-20-10-11-21-6-2-3-7-22(21)18-20/h2-3,6-7,10-11,18,23-24H,4-5,8-9,12-17H2,1H3/t23-,24-/m1/s1
InChIKeyOTFDBJMVCAGHEW-DNQXCXABSA-N
XLogP3.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone (CID 10452388) is 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone is CC(=O)N1CCN([C@@H]2CCCC[C@H]2OCCc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone?
The InChIKey is OTFDBJMVCAGHEW-DNQXCXABSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19(27)25-13-15-26(16-14-25)23-8-4-5-9-24(23)28-17-12-20-10-11-21-6-2-3-7-22(21)18-20/h2-3,6-7,10-11,18,23-24H,4-5,8-9,12-17H2,1H3/t23-,24-/m1/s1.
What are the key properties of 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone?
1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone has a molecular weight of 380.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R,2R)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 10452388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).