2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide

C15H27N3O — CID 90567443

IUPAC2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
SMILESO=C(CC1CCCCC1)NCC1CN2CCN1CC2
InChIInChI=1S/C15H27N3O/c19-15(10-13-4-2-1-3-5-13)16-11-14-12-17-6-8-18(14)9-7-17/h13-14H,1-12H2,(H,16,19)
InChIKeyMQRNWVLXMRLMIB-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.07
Rot. Bonds4

About 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide

2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide (PubChem CID 90567443) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
PubChem CID90567443
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
SMILESO=C(CC1CCCCC1)NCC1CN2CCN1CC2
InChIInChI=1S/C15H27N3O/c19-15(10-13-4-2-1-3-5-13)16-11-14-12-17-6-8-18(14)9-7-17/h13-14H,1-12H2,(H,16,19)
InChIKeyMQRNWVLXMRLMIB-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
2-cyclohexyl-N-[2-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]-2-oxoethyl]acetamide
CID 94822117
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
CID 114459062
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 63897115
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide (CID 90567443) is 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide is O=C(CC1CCCCC1)NCC1CN2CCN1CC2.
What is the InChIKey of 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide?
The InChIKey is MQRNWVLXMRLMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-15(10-13-4-2-1-3-5-13)16-11-14-12-17-6-8-18(14)9-7-17/h13-14H,1-12H2,(H,16,19).
What are the key properties of 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide?
2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide has a molecular weight of 265.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide is sourced from PubChem (CID 90567443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).