N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide

C17H30N4O4S — CID 91948709

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide
SMILESCS(=O)(=O)N1CCN(C(=O)CCCC(=O)NC2CN3CCC2CC3)CC1
InChIInChI=1S/C17H30N4O4S/c1-26(24,25)21-11-9-20(10-12-21)17(23)4-2-3-16(22)18-15-13-19-7-5-14(15)6-8-19/h14-15H,2-13H2,1H3,(H,18,22)
InChIKeyMXOQXGKMKVPSIA-UHFFFAOYSA-N
MW386.52 g/mol
LogP-0.53
Rot. Bonds6

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide (PubChem CID 91948709) has the molecular formula C17H30N4O4S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide
PubChem CID91948709
Molecular FormulaC17H30N4O4S
Molecular Weight386.52 g/mol
Exact Mass386.20
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide
SMILESCS(=O)(=O)N1CCN(C(=O)CCCC(=O)NC2CN3CCC2CC3)CC1
InChIInChI=1S/C17H30N4O4S/c1-26(24,25)21-11-9-20(10-12-21)17(23)4-2-3-16(22)18-15-13-19-7-5-14(15)6-8-19/h14-15H,2-13H2,1H3,(H,18,22)
InChIKeyMXOQXGKMKVPSIA-UHFFFAOYSA-N
XLogP-0.53
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-{[1,4'-Bipiperidin]-1'-YL}propyl)-1-[(4-methylpiperidin-1-YL)sulfonyl]piperidine-3-carboxamide
CID 46276243
tris(2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one);bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2-methylpropyl)-4-methylsulfonylpiperazine;1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 157459901
(2R)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 7682040
(2R)-4-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 7682041
N-[[1-(2-piperidin-4-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 61029356
N-[1-(2-piperidin-4-ylacetyl)piperidin-3-yl]methanesulfonamide
CID 61029610
1-methylsulfonyl-N-(6-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 62492120
4-methylsulfonyl-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 78524173
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 90567586
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,6-dioxopiperidin-1-yl)ethanesulfonamide
CID 90567715
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91948580
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-oxo-5-piperidin-1-ylpentanamide
CID 91948710

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide (CID 91948709) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide is CS(=O)(=O)N1CCN(C(=O)CCCC(=O)NC2CN3CCC2CC3)CC1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide?
The InChIKey is MXOQXGKMKVPSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4S/c1-26(24,25)21-11-9-20(10-12-21)17(23)4-2-3-16(22)18-15-13-19-7-5-14(15)6-8-19/h14-15H,2-13H2,1H3,(H,18,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide has a molecular weight of 386.52 g/mol, XLogP of -0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxopentanamide is sourced from PubChem (CID 91948709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).