3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide

C16H31N3O — CID 63596230

IUPAC3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide
SMILESCC(N)C1CCN(CCC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(17)14-7-10-19(11-8-14)12-9-16(20)18-15-5-3-2-4-6-15/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeySXVOLHUABXFMGS-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds5

About 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide

3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide (PubChem CID 63596230) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide
PubChem CID63596230
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide
SMILESCC(N)C1CCN(CCC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(17)14-7-10-19(11-8-14)12-9-16(20)18-15-5-3-2-4-6-15/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeySXVOLHUABXFMGS-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 112628386
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
N-cyclohexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60706788
N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752
3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 55216877
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide
CID 163685582
N-cyclopropyl-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63853098
N-cyclopentyl-3-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47358418

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide?
The IUPAC name of 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide (CID 63596230) is 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide is CC(N)C1CCN(CCC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide?
The InChIKey is SXVOLHUABXFMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(17)14-7-10-19(11-8-14)12-9-16(20)18-15-5-3-2-4-6-15/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide?
3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide is sourced from PubChem (CID 63596230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).