5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid

C16H24N2O2S — CID 63378027

IUPAC5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C16H24N2O2S/c19-16(20)15-5-4-14(21-15)12-17-10-6-13(7-11-17)18-8-2-1-3-9-18/h4-5,13H,1-3,6-12H2,(H,19,20)
InChIKeyYHEBEKAYIOIIMJ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.90
Rot. Bonds4

About 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid

5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63378027) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63378027
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C16H24N2O2S/c19-16(20)15-5-4-14(21-15)12-17-10-6-13(7-11-17)18-8-2-1-3-9-18/h4-5,13H,1-3,6-12H2,(H,19,20)
InChIKeyYHEBEKAYIOIIMJ-UHFFFAOYSA-N
XLogP2.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63377926
5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophene-2-carboxylic acid
CID 63378316
5-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 114679118
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568
5-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861570
3-[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]prop-2-enoic acid
CID 76986836
5-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carboxylic acid
CID 63378241
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 50896517
lithium;5-[2-(azepan-1-yl)ethyl]thiophene-2-carboxylic acid;hydride
CID 173001875
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63377774
5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
CID 103244365

Frequently Asked Questions

What is the IUPAC name of 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid (CID 63378027) is 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CN2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is YHEBEKAYIOIIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(20)15-5-4-14(21-15)12-17-10-6-13(7-11-17)18-8-2-1-3-9-18/h4-5,13H,1-3,6-12H2,(H,19,20).
What are the key properties of 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid?
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 308.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63378027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).