methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate

C16H26N2O2S — CID 82886497

IUPACmethyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCCCN2CCCCC2)s1
InChIInChI=1S/C16H26N2O2S/c1-20-16(19)12-14-6-7-15(21-14)13-17-8-5-11-18-9-3-2-4-10-18/h6-7,17H,2-5,8-13H2,1H3
InChIKeyUDVUEFFBSKKUHI-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.43
Rot. Bonds8

About methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate

methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate (PubChem CID 82886497) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
PubChem CID82886497
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Namemethyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCCCN2CCCCC2)s1
InChIInChI=1S/C16H26N2O2S/c1-20-16(19)12-14-6-7-15(21-14)13-17-8-5-11-18-9-3-2-4-10-18/h6-7,17H,2-5,8-13H2,1H3
InChIKeyUDVUEFFBSKKUHI-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-[(4-methoxybutylamino)methyl]thiophen-2-yl]acetate
CID 82894149
methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82887589
methyl 2-[5-[(3-ethylsulfanylpropylamino)methyl]thiophen-2-yl]acetate
CID 114247942
methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate
CID 82942790
N-[(5-bromothiophen-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28658161
methyl 2-[5-[(2-acetamidoethylamino)methyl]thiophen-2-yl]acetate
CID 82894116
methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82893926
methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate
CID 43425553
5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
CID 103244365
methyl 2-[5-[[(1-hydroxycycloheptyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82887983
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
2-[5-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]thiophen-2-yl]acetic acid
CID 82886267

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate (CID 82886497) is methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNCCCN2CCCCC2)s1.
What is the InChIKey of methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate?
The InChIKey is UDVUEFFBSKKUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-20-16(19)12-14-6-7-15(21-14)13-17-8-5-11-18-9-3-2-4-10-18/h6-7,17H,2-5,8-13H2,1H3.
What are the key properties of methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate has a molecular weight of 310.46 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82886497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).