2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide

C18H25ClN2O2S — CID 135208172

IUPAC2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(CC1CCCS1)C1CCCCN1
InChIInChI=1S/C18H25ClN2O2S/c19-14-6-8-15(9-7-14)23-13-18(22)21(12-16-4-3-11-24-16)17-5-1-2-10-20-17/h6-9,16-17,20H,1-5,10-13H2
InChIKeySBXUTCKEYYXZAS-UHFFFAOYSA-N
MW368.93 g/mol
LogP3.54
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide

2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 135208172) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
PubChem CID135208172
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC Name2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(CC1CCCS1)C1CCCCN1
InChIInChI=1S/C18H25ClN2O2S/c19-14-6-8-15(9-7-14)23-13-18(22)21(12-16-4-3-11-24-16)17-5-1-2-10-20-17/h6-9,16-17,20H,1-5,10-13H2
InChIKeySBXUTCKEYYXZAS-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
CID 140622055
2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610766
2-(4-methylphenoxy)-N-propyl-N-(thiolan-2-ylmethyl)acetamide
CID 123678594
N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide
CID 135208237
N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140622010
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
CID 66182970
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one
CID 114192959
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
CID 105092134

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide (CID 135208172) is 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1)N(CC1CCCS1)C1CCCCN1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is SBXUTCKEYYXZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2S/c19-14-6-8-15(9-7-14)23-13-18(22)21(12-16-4-3-11-24-16)17-5-1-2-10-20-17/h6-9,16-17,20H,1-5,10-13H2.
What are the key properties of 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 368.93 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 135208172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).