2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C18H27ClN2O2S2 — CID 119460626

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(C2SCCCS2)cc1)NCC1CCCNC1
InChIInChI=1S/C18H26N2O2S2.ClH/c21-17(20-12-14-3-1-8-19-11-14)13-22-16-6-4-15(5-7-16)18-23-9-2-10-24-18;/h4-7,14,18-19H,1-3,8-13H2,(H,20,21);1H
InChIKeyFUDWNAHSFZMLPT-UHFFFAOYSA-N
MW403.01 g/mol
LogP3.47
Rot. Bonds6

About 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119460626) has the molecular formula C18H27ClN2O2S2 and a molecular weight of 403.01 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119460626
Molecular FormulaC18H27ClN2O2S2
Molecular Weight403.01 g/mol
Exact Mass402.12
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(C2SCCCS2)cc1)NCC1CCCNC1
InChIInChI=1S/C18H26N2O2S2.ClH/c21-17(20-12-14-3-1-8-19-11-14)13-22-16-6-4-15(5-7-16)18-23-9-2-10-24-18;/h4-7,14,18-19H,1-3,8-13H2,(H,20,21);1H
InChIKeyFUDWNAHSFZMLPT-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.01
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462343
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119464381
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 99626862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119460626) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(COc1ccc(C2SCCCS2)cc1)NCC1CCCNC1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is FUDWNAHSFZMLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S2.ClH/c21-17(20-12-14-3-1-8-19-11-14)13-22-16-6-4-15(5-7-16)18-23-9-2-10-24-18;/h4-7,14,18-19H,1-3,8-13H2,(H,20,21);1H.
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 403.01 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119460626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).