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

C20H32N4O4S2 — CID 55447148

IUPACN,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C20H32N4O4S2/c1-3-22(4-2)18(25)16-21-10-12-23(13-11-21)20(26)17-7-5-9-24(15-17)30(27,28)19-8-6-14-29-19/h6,8,14,17H,3-5,7,9-13,15-16H2,1-2H3
InChIKeyHNANSVBXFRMZLR-UHFFFAOYSA-N
MW456.63 g/mol
LogP1.16
Rot. Bonds7

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

N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55447148) has the molecular formula C20H32N4O4S2 and a molecular weight of 456.63 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID55447148
Molecular FormulaC20H32N4O4S2
Molecular Weight456.63 g/mol
Exact Mass456.19
IUPAC NameN,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C20H32N4O4S2/c1-3-22(4-2)18(25)16-21-10-12-23(13-11-21)20(26)17-7-5-9-24(15-17)30(27,28)19-8-6-14-29-19/h6,8,14,17H,3-5,7,9-13,15-16H2,1-2H3
InChIKeyHNANSVBXFRMZLR-UHFFFAOYSA-N
XLogP1.16
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyrrolidin-1-yl-2-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 41074973
N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55415067
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 30124703
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
(3R)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 39947737
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
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
N,N-diethyl-2-[4-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55642349
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524
[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,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide (CID 55447148) is N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is HNANSVBXFRMZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S2/c1-3-22(4-2)18(25)16-21-10-12-23(13-11-21)20(26)17-7-5-9-24(15-17)30(27,28)19-8-6-14-29-19/h6,8,14,17H,3-5,7,9-13,15-16H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 456.63 g/mol, XLogP of 1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55447148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).