2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one

C14H21NOS — CID 79065877

IUPAC2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccsc1)N1CCCCC1
InChIInChI=1S/C14H21NOS/c1-3-14(2,15-8-5-4-6-9-15)13(16)12-7-10-17-11-12/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyQTNVZGSDTKOZKO-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.59
Rot. Bonds4

About 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one

2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one (PubChem CID 79065877) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one
PubChem CID79065877
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccsc1)N1CCCCC1
InChIInChI=1S/C14H21NOS/c1-3-14(2,15-8-5-4-6-9-15)13(16)12-7-10-17-11-12/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyQTNVZGSDTKOZKO-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79060041
2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-one
CID 79065128
1-(4-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069392
2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one
CID 116610816
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 105394302
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069238
4-methyl-4-piperidin-1-ylhexan-3-one
CID 79069360
2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 79065501
2-methyl-2-methylsulfanyl-1-thiophen-3-ylpropan-1-one
CID 130648516
2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one
CID 79065462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one?
The IUPAC name of 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one (CID 79065877) is 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one is CCC(C)(C(=O)c1ccsc1)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one?
The InChIKey is QTNVZGSDTKOZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-14(2,15-8-5-4-6-9-15)13(16)12-7-10-17-11-12/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one?
2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one has a molecular weight of 251.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one is sourced from PubChem (CID 79065877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).