N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

C18H24N4O4S — CID 119457140

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)NC3CC4CCC(C3)N4)cc2)CCN1
InChIInChI=1S/C18H24N4O4S/c23-17-11-22(8-7-19-17)27(25,26)16-5-1-12(2-6-16)18(24)21-15-9-13-3-4-14(10-15)20-13/h1-2,5-6,13-15,20H,3-4,7-11H2,(H,19,23)(H,21,24)
InChIKeyIBTDQRKQOBIDPD-UHFFFAOYSA-N
MW392.48 g/mol
LogP-0.18
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 119457140) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID119457140
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)NC3CC4CCC(C3)N4)cc2)CCN1
InChIInChI=1S/C18H24N4O4S/c23-17-11-22(8-7-19-17)27(25,26)16-5-1-12(2-6-16)18(24)21-15-9-13-3-4-14(10-15)20-13/h1-2,5-6,13-15,20H,3-4,7-11H2,(H,19,23)(H,21,24)
InChIKeyIBTDQRKQOBIDPD-UHFFFAOYSA-N
XLogP-0.18
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119476514
N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760
4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 31883493
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31983039
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119573926
(2R,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide
CID 97256953
(2S,5S)-N,N-dimethyl-5-[[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]oxolane-2-carboxamide
CID 97256952
N-[4-(azepan-1-yl)phenyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55596636
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119457671
4-(3-oxopiperazin-1-yl)sulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55596683
N-(2,3-dihydro-1H-inden-5-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31898842

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide (CID 119457140) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide is O=C1CN(S(=O)(=O)c2ccc(C(=O)NC3CC4CCC(C3)N4)cc2)CCN1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is IBTDQRKQOBIDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c23-17-11-22(8-7-19-17)27(25,26)16-5-1-12(2-6-16)18(24)21-15-9-13-3-4-14(10-15)20-13/h1-2,5-6,13-15,20H,3-4,7-11H2,(H,19,23)(H,21,24).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 392.48 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 119457140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).