2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride

C17H31ClN2O2 — CID 119817816

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC1(CCO)CCCC1
InChIInChI=1S/C17H30N2O2.ClH/c20-8-7-17(5-1-2-6-17)12-18-16(21)11-13-9-14-3-4-15(10-13)19-14;/h13-15,19-20H,1-12H2,(H,18,21);1H
InChIKeyHGMVPYCOGSVHRY-UHFFFAOYSA-N
MW330.90 g/mol
LogP2.39
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride (PubChem CID 119817816) has the molecular formula C17H31ClN2O2 and a molecular weight of 330.90 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride
PubChem CID119817816
Molecular FormulaC17H31ClN2O2
Molecular Weight330.90 g/mol
Exact Mass330.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC1(CCO)CCCC1
InChIInChI=1S/C17H30N2O2.ClH/c20-8-7-17(5-1-2-6-17)12-18-16(21)11-13-9-14-3-4-15(10-13)19-14;/h13-15,19-20H,1-12H2,(H,18,21);1H
InChIKeyHGMVPYCOGSVHRY-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820378
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide
CID 119820379
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 79615256
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417257
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782238
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80736660
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119799189
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide
CID 119782657
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
CID 119822033
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 154911412
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772678

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride (CID 119817816) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCC1(CCO)CCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride?
The InChIKey is HGMVPYCOGSVHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2.ClH/c20-8-7-17(5-1-2-6-17)12-18-16(21)11-13-9-14-3-4-15(10-13)19-14;/h13-15,19-20H,1-12H2,(H,18,21);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride has a molecular weight of 330.90 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119817816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).