2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide

C16H31N3O — CID 63613064

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESNCC1CCC(CC(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c17-13-15-6-4-14(5-7-15)12-16(20)18-8-11-19-9-2-1-3-10-19/h14-15H,1-13,17H2,(H,18,20)
InChIKeyKVCADJCHLMKHFX-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds6

About 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide

2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 63613064) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID63613064
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESNCC1CCC(CC(=O)NCCN2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c17-13-15-6-4-14(5-7-15)12-16(20)18-8-11-19-9-2-1-3-10-19/h14-15H,1-13,17H2,(H,18,20)
InChIKeyKVCADJCHLMKHFX-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762
2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 63611880
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79610567
3-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]cyclohexane-1-carboxamide
CID 62808201
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 46295224
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 63613727
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
CID 79193390

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide (CID 63613064) is 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide is NCC1CCC(CC(=O)NCCN2CCCCC2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is KVCADJCHLMKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c17-13-15-6-4-14(5-7-15)12-16(20)18-8-11-19-9-2-1-3-10-19/h14-15H,1-13,17H2,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 63613064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).