1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

C14H21NO2S — CID 53150814

IUPAC1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCOCCC1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H21NO2S/c1-17-8-4-12-2-6-15(7-3-12)14(16)10-13-5-9-18-11-13/h5,9,11-12H,2-4,6-8,10H2,1H3
InChIKeyDERAQIPZXZDEFZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 53150814) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID53150814
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCOCCC1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H21NO2S/c1-17-8-4-12-2-6-15(7-3-12)14(16)10-13-5-9-18-11-13/h5,9,11-12H,2-4,6-8,10H2,1H3
InChIKeyDERAQIPZXZDEFZ-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3-[1-(3-thienylacetyl)piperidin-4-yl]propanamide
CID 23723469
1-(2-Thiophen-3-ylacetyl)piperidine-4-carboxamide
CID 24685250
Ethyl 4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
CID 2123310
Ethyl 4-(2-methoxyethyl)-1-(3-thienylacetyl)piperidine-4-carboxylate
CID 23723315
N-Methyl-N-[(oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91914991
1-[9-(Oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 118739157
1-[11-(Cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 118743087
1-Piperidin-1-yl-3-thiophen-3-ylpropan-1-one
CID 39958563
1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one
CID 40137163
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53150832
[4-(2-Methoxyethyl)piperidino](3-methyl-2-thienyl)methanone
CID 53150843
[4-(2-Methoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150894

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 53150814) is 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is COCCC1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is DERAQIPZXZDEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-17-8-4-12-2-6-15(7-3-12)14(16)10-13-5-9-18-11-13/h5,9,11-12H,2-4,6-8,10H2,1H3.
What are the key properties of 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 267.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 53150814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).