N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide

C19H30N4O4S2 — CID 55415067

IUPACN-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C19H30N4O4S2/c1-2-7-20-17(24)15-21-9-11-22(12-10-21)19(25)16-5-3-8-23(14-16)29(26,27)18-6-4-13-28-18/h4,6,13,16H,2-3,5,7-12,14-15H2,1H3,(H,20,24)
InChIKeyXUZHZLQSTKGUDK-UHFFFAOYSA-N
MW442.61 g/mol
LogP0.82
Rot. Bonds7

About N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide

N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55415067) has the molecular formula C19H30N4O4S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID55415067
Molecular FormulaC19H30N4O4S2
Molecular Weight442.61 g/mol
Exact Mass442.17
IUPAC NameN-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C19H30N4O4S2/c1-2-7-20-17(24)15-21-9-11-22(12-10-21)19(25)16-5-3-8-23(14-16)29(26,27)18-6-4-13-28-18/h4,6,13,16H,2-3,5,7-12,14-15H2,1H3,(H,20,24)
InChIKeyXUZHZLQSTKGUDK-UHFFFAOYSA-N
XLogP0.82
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55447148
1-pyrrolidin-1-yl-2-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 41074973
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 30124703
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 31383525
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 55718864
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 92802348

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide (CID 55415067) is N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide is CCCNC(=O)CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1.
What is the InChIKey of N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is XUZHZLQSTKGUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S2/c1-2-7-20-17(24)15-21-9-11-22(12-10-21)19(25)16-5-3-8-23(14-16)29(26,27)18-6-4-13-28-18/h4,6,13,16H,2-3,5,7-12,14-15H2,1H3,(H,20,24).
What are the key properties of N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 442.61 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55415067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).