N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide

C16H25N3O3S — CID 95613180

IUPACN-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide
SMILESCC[C@H](O)CN1CCN(C(=O)c2ccc(CNC(C)=O)s2)CC1
InChIInChI=1S/C16H25N3O3S/c1-3-13(21)11-18-6-8-19(9-7-18)16(22)15-5-4-14(23-15)10-17-12(2)20/h4-5,13,21H,3,6-11H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyDBXBJXUVUGRHTK-ZDUSSCGKSA-N
MW339.46 g/mol
LogP0.91
Rot. Bonds6

About N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide

N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide (PubChem CID 95613180) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide
PubChem CID95613180
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide
SMILESCC[C@H](O)CN1CCN(C(=O)c2ccc(CNC(C)=O)s2)CC1
InChIInChI=1S/C16H25N3O3S/c1-3-13(21)11-18-6-8-19(9-7-18)16(22)15-5-4-14(23-15)10-17-12(2)20/h4-5,13,21H,3,6-11H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyDBXBJXUVUGRHTK-ZDUSSCGKSA-N
XLogP0.91
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95342576
N-[[5-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-2-yl]methyl]acetamide
CID 56778822
N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119489478
N-[[5-[2-(oxolan-2-yl)morpholine-4-carbonyl]thiophen-2-yl]methyl]acetamide
CID 71921171
4-[4-[5-(acetamidomethyl)thiophen-2-yl]-4-oxobutyl]-N-ethylpiperazine-1-carboxamide
CID 19372887
N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide
CID 95613274
(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416286
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95350387
(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95346804
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95312025
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317957

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide (CID 95613180) is N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide is CC[C@H](O)CN1CCN(C(=O)c2ccc(CNC(C)=O)s2)CC1.
What is the InChIKey of N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is DBXBJXUVUGRHTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-13(21)11-18-6-8-19(9-7-18)16(22)15-5-4-14(23-15)10-17-12(2)20/h4-5,13,21H,3,6-11H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 95613180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).