2-piperidin-3-yl-1-thiophen-3-ylethanone

C11H15NOS — CID 116564139

IUPAC2-piperidin-3-yl-1-thiophen-3-ylethanone
SMILESO=C(CC1CCCNC1)c1ccsc1
InChIInChI=1S/C11H15NOS/c13-11(10-3-5-14-8-10)6-9-2-1-4-12-7-9/h3,5,8-9,12H,1-2,4,6-7H2
InChIKeyBTWYYDYWZKORLO-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.32
Rot. Bonds3

About 2-piperidin-3-yl-1-thiophen-3-ylethanone

2-piperidin-3-yl-1-thiophen-3-ylethanone (PubChem CID 116564139) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-piperidin-3-yl-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-piperidin-3-yl-1-thiophen-3-ylethanone
PubChem CID116564139
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-piperidin-3-yl-1-thiophen-3-ylethanone
SMILESO=C(CC1CCCNC1)c1ccsc1
InChIInChI=1S/C11H15NOS/c13-11(10-3-5-14-8-10)6-9-2-1-4-12-7-9/h3,5,8-9,12H,1-2,4,6-7H2
InChIKeyBTWYYDYWZKORLO-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-1-thiophen-3-ylethanone
CID 116582227
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
2-piperidin-3-yl-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 62676356
2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone
CID 130487424
N-(2-piperidin-3-ylethyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119555094
N-piperidin-3-yl-N-propylthiophene-3-carboxamide
CID 55246454
1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564116
3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119740795
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
CID 107514868

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1-thiophen-3-ylethanone?
The IUPAC name of 2-piperidin-3-yl-1-thiophen-3-ylethanone (CID 116564139) is 2-piperidin-3-yl-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-piperidin-3-yl-1-thiophen-3-ylethanone?
The canonical SMILES for 2-piperidin-3-yl-1-thiophen-3-ylethanone is O=C(CC1CCCNC1)c1ccsc1.
What is the InChIKey of 2-piperidin-3-yl-1-thiophen-3-ylethanone?
The InChIKey is BTWYYDYWZKORLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-11(10-3-5-14-8-10)6-9-2-1-4-12-7-9/h3,5,8-9,12H,1-2,4,6-7H2.
What are the key properties of 2-piperidin-3-yl-1-thiophen-3-ylethanone?
2-piperidin-3-yl-1-thiophen-3-ylethanone has a molecular weight of 209.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1-thiophen-3-ylethanone is sourced from PubChem (CID 116564139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).