2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide

C16H20N2OS — CID 97160286

IUPAC2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide
SMILESNC(=O)C[C@H]1CCCN(Cc2cc3ccccc3s2)C1
InChIInChI=1S/C16H20N2OS/c17-16(19)8-12-4-3-7-18(10-12)11-14-9-13-5-1-2-6-15(13)20-14/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H2,17,19)/t12-/m1/s1
InChIKeyWTRZBDRNCZPEEV-GFCCVEGCSA-N
MW288.42 g/mol
LogP2.99
Rot. Bonds4

About 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide

2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide (PubChem CID 97160286) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide
PubChem CID97160286
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide
SMILESNC(=O)C[C@H]1CCCN(Cc2cc3ccccc3s2)C1
InChIInChI=1S/C16H20N2OS/c17-16(19)8-12-4-3-7-18(10-12)11-14-9-13-5-1-2-6-15(13)20-14/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H2,17,19)/t12-/m1/s1
InChIKeyWTRZBDRNCZPEEV-GFCCVEGCSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 4313757
(6S)-1-(1-benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepane-6-carboxamide
CID 124970979
1-[(4aR,8aS)-6-(1-benzothiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]ethanone
CID 126467047
3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 45214233
2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide
CID 97160299
1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
CID 126464915
[(4aR,8aS)-6-(1-benzothiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 26340342
methyl (2S)-4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylate
CID 97159017
[(4aR,8aS)-6-(1-benzothiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 45219517
5-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342039
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 97160311
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide (CID 97160286) is 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide is NC(=O)C[C@H]1CCCN(Cc2cc3ccccc3s2)C1.
What is the InChIKey of 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide?
The InChIKey is WTRZBDRNCZPEEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-16(19)8-12-4-3-7-18(10-12)11-14-9-13-5-1-2-6-15(13)20-14/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H2,17,19)/t12-/m1/s1.
What are the key properties of 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide?
2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide has a molecular weight of 288.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 97160286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).