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

C16H26N2O2S — CID 82887589

IUPACmethyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCC(C)N2CCCCC2)s1
InChIInChI=1S/C16H26N2O2S/c1-13(18-8-4-3-5-9-18)11-17-12-15-7-6-14(21-15)10-16(19)20-2/h6-7,13,17H,3-5,8-12H2,1-2H3
InChIKeyDLBHTFPPSBPCLN-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.43
Rot. Bonds7

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

methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate (PubChem CID 82887589) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
PubChem CID82887589
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Namemethyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNCC(C)N2CCCCC2)s1
InChIInChI=1S/C16H26N2O2S/c1-13(18-8-4-3-5-9-18)11-17-12-15-7-6-14(21-15)10-16(19)20-2/h6-7,13,17H,3-5,8-12H2,1-2H3
InChIKeyDLBHTFPPSBPCLN-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

Analyze methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82886497
methyl 2-[5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]thiophen-2-yl]acetate
CID 113352470
methyl 2-[5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]thiophen-2-yl]acetate
CID 82886524
methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate
CID 82886709
methyl 2-[5-[[(1-hydroxycycloheptyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82887983
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82893926
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
CID 82894760
methyl 2-[5-[[2-(2-methylpropoxy)ethylamino]methyl]thiophen-2-yl]acetate
CID 115904857

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate (CID 82887589) is methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNCC(C)N2CCCCC2)s1.
What is the InChIKey of methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate?
The InChIKey is DLBHTFPPSBPCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(18-8-4-3-5-9-18)11-17-12-15-7-6-14(21-15)10-16(19)20-2/h6-7,13,17H,3-5,8-12H2,1-2H3.
What are the key properties of methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate has a molecular weight of 310.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(2-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82887589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).