methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate

C14H20N2O3S — CID 110821759

IUPACmethyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)CCc2cccs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-19-14(18)16-8-6-11(7-9-16)15-13(17)5-4-12-3-2-10-20-12/h2-3,10-11H,4-9H2,1H3,(H,15,17)
InChIKeyAEXWVXFHCQYJMM-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.03
Rot. Bonds4

About methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate

methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate (PubChem CID 110821759) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
PubChem CID110821759
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)CCc2cccs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-19-14(18)16-8-6-11(7-9-16)15-13(17)5-4-12-3-2-10-20-12/h2-3,10-11H,4-9H2,1H3,(H,15,17)
InChIKeyAEXWVXFHCQYJMM-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 110819982
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 134047770
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 55957230
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110822076

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate (CID 110821759) is methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)CCc2cccs2)CC1.
What is the InChIKey of methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is AEXWVXFHCQYJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-14(18)16-8-6-11(7-9-16)15-13(17)5-4-12-3-2-10-20-12/h2-3,10-11H,4-9H2,1H3,(H,15,17).
What are the key properties of methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate?
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110821759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).