(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone

C14H21NOS — CID 64592496

IUPAC(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCCC1(CC)CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H21NOS/c1-3-14(4-2)7-9-15(10-8-14)13(16)12-6-5-11-17-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyFYKQQZMVZKGWTG-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.79
Rot. Bonds3

About (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone

(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 64592496) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
PubChem CID64592496
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCCC1(CC)CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H21NOS/c1-3-14(4-2)7-9-15(10-8-14)13(16)12-6-5-11-17-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyFYKQQZMVZKGWTG-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 79805632

Frequently Asked Questions

What is the IUPAC name of (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone (CID 64592496) is (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone is CCC1(CC)CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is FYKQQZMVZKGWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-14(4-2)7-9-15(10-8-14)13(16)12-6-5-11-17-12/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone?
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 251.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 64592496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).