2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide

C18H21N3O3S — CID 29105768

IUPAC2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C18H21N3O3S/c19-17(22)13-24-15-4-1-3-14(11-15)18(23)21-8-6-20(7-9-21)12-16-5-2-10-25-16/h1-5,10-11H,6-9,12-13H2,(H2,19,22)
InChIKeyIEKRPVVSHZVOSO-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.57
Rot. Bonds6

About 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide

2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 29105768) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
PubChem CID29105768
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C18H21N3O3S/c19-17(22)13-24-15-4-1-3-14(11-15)18(23)21-8-6-20(7-9-21)12-16-5-2-10-25-16/h1-5,10-11H,6-9,12-13H2,(H2,19,22)
InChIKeyIEKRPVVSHZVOSO-UHFFFAOYSA-N
XLogP1.57
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 86858542
morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone
CID 91919055
(4-ethoxy-3-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801509
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 122135504
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74245609
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
CID 39896443
(5-hydroxy-3-pyridinyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 63859389
[4-[(4-fluorophenoxy)methyl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19585133
N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443461
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide (CID 29105768) is 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide is NC(=O)COc1cccc(C(=O)N2CCN(Cc3cccs3)CC2)c1.
What is the InChIKey of 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is IEKRPVVSHZVOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c19-17(22)13-24-15-4-1-3-14(11-15)18(23)21-8-6-20(7-9-21)12-16-5-2-10-25-16/h1-5,10-11H,6-9,12-13H2,(H2,19,22).
What are the key properties of 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide?
2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 359.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 29105768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).