N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

C19H23ClN2O2S — CID 86972224

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(COc2ccccc2)C1)NCc1ccc(Cl)s1
InChIInChI=1S/C19H23ClN2O2S/c20-18-9-8-17(25-18)11-21-19(23)13-22-10-4-5-15(12-22)14-24-16-6-2-1-3-7-16/h1-3,6-9,15H,4-5,10-14H2,(H,21,23)
InChIKeyVGXGUJUNDAUNAD-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.81
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (PubChem CID 86972224) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
PubChem CID86972224
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(COc2ccccc2)C1)NCc1ccc(Cl)s1
InChIInChI=1S/C19H23ClN2O2S/c20-18-9-8-17(25-18)11-21-19(23)13-22-10-4-5-15(12-22)14-24-16-6-2-1-3-7-16/h1-3,6-9,15H,4-5,10-14H2,(H,21,23)
InChIKeyVGXGUJUNDAUNAD-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972269
2-[(3R)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124756360
2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124756359
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972373
1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 56815752
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 86972171
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (CID 86972224) is N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(COc2ccccc2)C1)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The InChIKey is VGXGUJUNDAUNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c20-18-9-8-17(25-18)11-21-19(23)13-22-10-4-5-15(12-22)14-24-16-6-2-1-3-7-16/h1-3,6-9,15H,4-5,10-14H2,(H,21,23).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide has a molecular weight of 378.93 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86972224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).