N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide

C15H24N2OS — CID 121057584

IUPACN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H24N2OS/c1-2-3-15(18)16-10-13-4-7-17(8-5-13)11-14-6-9-19-12-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,16,18)
InChIKeyPYYJLVMJCXJSKD-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.88
Rot. Bonds6

About N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide

N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide (PubChem CID 121057584) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
PubChem CID121057584
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H24N2OS/c1-2-3-15(18)16-10-13-4-7-17(8-5-13)11-14-6-9-19-12-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,16,18)
InChIKeyPYYJLVMJCXJSKD-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 121057602
3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
CID 71961623
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 131946230
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
CID 75439221
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
1-(2-phenoxyethyl)-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 71796742
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
2-[4-(hydroxymethyl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 110899410
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 122161831

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide (CID 121057584) is N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide is CCCC(=O)NCC1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is PYYJLVMJCXJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-3-15(18)16-10-13-4-7-17(8-5-13)11-14-6-9-19-12-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,16,18).
What are the key properties of N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide?
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 280.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 121057584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).