3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid

C16H25NO3S — CID 65065534

IUPAC3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid
SMILESCC(C)C(c1cccs1)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C16H25NO3S/c1-12(2)16(14-4-3-11-21-14)17-8-5-13(6-9-17)20-10-7-15(18)19/h3-4,11-13,16H,5-10H2,1-2H3,(H,18,19)
InChIKeyCJWLAWGVLOTYDM-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.40
Rot. Bonds7

About 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid

3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 65065534) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid
PubChem CID65065534
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid
SMILESCC(C)C(c1cccs1)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C16H25NO3S/c1-12(2)16(14-4-3-11-21-14)17-8-5-13(6-9-17)20-10-7-15(18)19/h3-4,11-13,16H,5-10H2,1-2H3,(H,18,19)
InChIKeyCJWLAWGVLOTYDM-UHFFFAOYSA-N
XLogP3.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086
3-[1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 65065819
3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid
CID 63877371
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 113487066
3-piperidin-4-yloxy-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81409193
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 65065533
3-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904958
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756
3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
CID 63902664

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid (CID 65065534) is 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid is CC(C)C(c1cccs1)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is CJWLAWGVLOTYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12(2)16(14-4-3-11-21-14)17-8-5-13(6-9-17)20-10-7-15(18)19/h3-4,11-13,16H,5-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 311.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 65065534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).