N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide

C22H41N3O — CID 51624821

IUPACN-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide
SMILESCC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H41N3O/c1-22(2,3)19-11-7-8-12-20(19)23-21(26)17-24-13-15-25(16-14-24)18-9-5-4-6-10-18/h18-20H,4-17H2,1-3H3,(H,23,26)/t19-,20-/m1/s1
InChIKeyZITJEYGHRXEHNH-WOJBJXKFSA-N
MW363.59 g/mol
LogP3.66
Rot. Bonds4

About N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide

N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide (PubChem CID 51624821) has the molecular formula C22H41N3O and a molecular weight of 363.59 g/mol. Its IUPAC name is N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide
PubChem CID51624821
Molecular FormulaC22H41N3O
Molecular Weight363.59 g/mol
Exact Mass363.32
IUPAC NameN-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide
SMILESCC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H41N3O/c1-22(2,3)19-11-7-8-12-20(19)23-21(26)17-24-13-15-25(16-14-24)18-9-5-4-6-10-18/h18-20H,4-17H2,1-3H3,(H,23,26)/t19-,20-/m1/s1
InChIKeyZITJEYGHRXEHNH-WOJBJXKFSA-N
XLogP3.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 121184695
N-(2-acetamidoethyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34423586
2-(4-cyclopentylpiperazin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 62369296
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9131221
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide
CID 107221527
potassium 2-(4-cyclohexylpiperazin-1-yl)acetate
CID 23674348
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
CID 82929861
2-(4-cyclopropylpiperazin-1-yl)acetohydrazide
CID 63579683
2-(4-cyclopentylpiperazin-1-yl)-1-cyclopropylethanone
CID 63914774
2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 51003171

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide (CID 51624821) is N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide is CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide?
The InChIKey is ZITJEYGHRXEHNH-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H41N3O/c1-22(2,3)19-11-7-8-12-20(19)23-21(26)17-24-13-15-25(16-14-24)18-9-5-4-6-10-18/h18-20H,4-17H2,1-3H3,(H,23,26)/t19-,20-/m1/s1.
What are the key properties of N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide?
N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide has a molecular weight of 363.59 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-tert-butylcyclohexyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide is sourced from PubChem (CID 51624821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).