2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid

C15H24N2O2S — CID 82894407

IUPAC2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCCCN1CCC(NCc2ccc(CC(=O)O)s2)CC1
InChIInChI=1S/C15H24N2O2S/c1-2-7-17-8-5-12(6-9-17)16-11-14-4-3-13(20-14)10-15(18)19/h3-4,12,16H,2,5-11H2,1H3,(H,18,19)
InChIKeyIOOJJCPJMUTRJX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.34
Rot. Bonds7

About 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid

2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid (PubChem CID 82894407) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid
PubChem CID82894407
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCCCN1CCC(NCc2ccc(CC(=O)O)s2)CC1
InChIInChI=1S/C15H24N2O2S/c1-2-7-17-8-5-12(6-9-17)16-11-14-4-3-13(20-14)10-15(18)19/h3-4,12,16H,2,5-11H2,1H3,(H,18,19)
InChIKeyIOOJJCPJMUTRJX-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid with MolForge

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Related Compounds

2-[5-[[(4-methylcyclohexyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894323
2-[5-[[(3-ethoxycyclobutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 114118777
2-fluoro-4-[[(1-propylpiperidin-4-yl)amino]methyl]benzoic acid
CID 106699931
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine
CID 54883470
2-[5-[[(1-methylpiperidin-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894801
methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
CID 82894760
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 62346982
2-[5-[(2-thiomorpholin-4-ylethylamino)methyl]thiophen-2-yl]acetic acid
CID 106324613
2-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 106023950
1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine
CID 62346420
2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82887384
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 62346804

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid (CID 82894407) is 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid is CCCN1CCC(NCc2ccc(CC(=O)O)s2)CC1.
What is the InChIKey of 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is IOOJJCPJMUTRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-7-17-8-5-12(6-9-17)16-11-14-4-3-13(20-14)10-15(18)19/h3-4,12,16H,2,5-11H2,1H3,(H,18,19).
What are the key properties of 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 296.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82894407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).