N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride

C18H24ClN3O2 — CID 119456952

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H23N3O2.ClH/c22-17-5-2-8-21(17)16-4-1-3-12(9-16)18(23)20-15-10-13-6-7-14(11-15)19-13;/h1,3-4,9,13-15,19H,2,5-8,10-11H2,(H,20,23);1H
InChIKeyCPLFFHWJOTVNSR-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.25
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride (PubChem CID 119456952) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
PubChem CID119456952
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H23N3O2.ClH/c22-17-5-2-8-21(17)16-4-1-3-12(9-16)18(23)20-15-10-13-6-7-14(11-15)19-13;/h1,3-4,9,13-15,19H,2,5-8,10-11H2,(H,20,23);1H
InChIKeyCPLFFHWJOTVNSR-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119456953
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
CID 119459683
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119456665
N-(2-methylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 120601523
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide
CID 146022903
N-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 42457609
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 97011465

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride (CID 119456952) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The InChIKey is CPLFFHWJOTVNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c22-17-5-2-8-21(17)16-4-1-3-12(9-16)18(23)20-15-10-13-6-7-14(11-15)19-13;/h1,3-4,9,13-15,19H,2,5-8,10-11H2,(H,20,23);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119456952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).