2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid

C15H21NO2S — CID 79606463

IUPAC2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(c2cccs2)C2CC2)CC1
InChIInChI=1S/C15H21NO2S/c17-14(18)10-11-5-7-16(8-6-11)15(12-3-4-12)13-2-1-9-19-13/h1-2,9,11-12,15H,3-8,10H2,(H,17,18)
InChIKeyUXBUNNIFLORYEX-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid

2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 79606463) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID79606463
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(c2cccs2)C2CC2)CC1
InChIInChI=1S/C15H21NO2S/c17-14(18)10-11-5-7-16(8-6-11)15(12-3-4-12)13-2-1-9-19-13/h1-2,9,11-12,15H,3-8,10H2,(H,17,18)
InChIKeyUXBUNNIFLORYEX-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[cyclopropyl(thiophen-2-yl)methyl]piperazin-1-yl]acetic acid
CID 65055723
2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
CID 79606686
2-[4-[cyclopropyl(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061593
1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064495
2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid
CID 78980678
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79733009
2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79611090
2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178450
2-[1-[1-(5-bromothiophen-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606534
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid (CID 79606463) is 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(c2cccs2)C2CC2)CC1.
What is the InChIKey of 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is UXBUNNIFLORYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-14(18)10-11-5-7-16(8-6-11)15(12-3-4-12)13-2-1-9-19-13/h1-2,9,11-12,15H,3-8,10H2,(H,17,18).
What are the key properties of 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid?
2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 279.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).