N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride

C17H32ClN3O — CID 119913411

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
SMILESCC(NC(=O)CN(C)C1CCNCC1)C1CC2CCC1C2.Cl
InChIInChI=1S/C17H31N3O.ClH/c1-12(16-10-13-3-4-14(16)9-13)19-17(21)11-20(2)15-5-7-18-8-6-15;/h12-16,18H,3-11H2,1-2H3,(H,19,21);1H
InChIKeyNWDHWLUOLUVATK-UHFFFAOYSA-N
MW329.92 g/mol
LogP2.03
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride (PubChem CID 119913411) has the molecular formula C17H32ClN3O and a molecular weight of 329.92 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
PubChem CID119913411
Molecular FormulaC17H32ClN3O
Molecular Weight329.92 g/mol
Exact Mass329.22
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
SMILESCC(NC(=O)CN(C)C1CCNCC1)C1CC2CCC1C2.Cl
InChIInChI=1S/C17H31N3O.ClH/c1-12(16-10-13-3-4-14(16)9-13)19-17(21)11-20(2)15-5-7-18-8-6-15;/h12-16,18H,3-11H2,1-2H3,(H,19,21);1H
InChIKeyNWDHWLUOLUVATK-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.92
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912678
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685686
4-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanamide;hydrochloride
CID 120558701
2-[methyl(piperidin-4-yl)amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119913617
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[3-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-oxopropyl]sulfanylpropanamide
CID 100726421
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 124719199

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride (CID 119913411) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride is CC(NC(=O)CN(C)C1CCNCC1)C1CC2CCC1C2.Cl.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride?
The InChIKey is NWDHWLUOLUVATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.ClH/c1-12(16-10-13-3-4-14(16)9-13)19-17(21)11-20(2)15-5-7-18-8-6-15;/h12-16,18H,3-11H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride has a molecular weight of 329.92 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119913411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).