2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide

C17H27N3O3S — CID 30738692

IUPAC2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C[C@H](O)COCc2cccs2)CC1
InChIInChI=1S/C17H27N3O3S/c1-2-5-18-17(22)12-20-8-6-19(7-9-20)11-15(21)13-23-14-16-4-3-10-24-16/h2-4,10,15,21H,1,5-9,11-14H2,(H,18,22)/t15-/m0/s1
InChIKeyXUZXALYOYFCCDZ-HNNXBMFYSA-N
MW353.49 g/mol
LogP0.55
Rot. Bonds10

About 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 30738692) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID30738692
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C[C@H](O)COCc2cccs2)CC1
InChIInChI=1S/C17H27N3O3S/c1-2-5-18-17(22)12-20-8-6-19(7-9-20)11-15(21)13-23-14-16-4-3-10-24-16/h2-4,10,15,21H,1,5-9,11-14H2,(H,18,22)/t15-/m0/s1
InChIKeyXUZXALYOYFCCDZ-HNNXBMFYSA-N
XLogP0.55
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone
CID 2359522
1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110908448
4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol
CID 110877541
N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 32603232
1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492
1-[1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]imidazolidin-2-one
CID 95329642
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998945
1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111107422
2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 51728070

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 30738692) is 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C[C@H](O)COCc2cccs2)CC1.
What is the InChIKey of 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is XUZXALYOYFCCDZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-2-5-18-17(22)12-20-8-6-19(7-9-20)11-15(21)13-23-14-16-4-3-10-24-16/h2-4,10,15,21H,1,5-9,11-14H2,(H,18,22)/t15-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 353.49 g/mol, XLogP of 0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 30738692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).