N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

C15H22N2O3S — CID 131947637

IUPACN-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCOCCC(=O)N1CCC(CNC(=O)c2cccs2)CC1
InChIInChI=1S/C15H22N2O3S/c1-20-9-6-14(18)17-7-4-12(5-8-17)11-16-15(19)13-3-2-10-21-13/h2-3,10,12H,4-9,11H2,1H3,(H,16,19)
InChIKeyYMPHRERZCBHZKG-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.75
Rot. Bonds6

About N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 131947637) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID131947637
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESCOCCC(=O)N1CCC(CNC(=O)c2cccs2)CC1
InChIInChI=1S/C15H22N2O3S/c1-20-9-6-14(18)17-7-4-12(5-8-17)11-16-15(19)13-3-2-10-21-13/h2-3,10,12H,4-9,11H2,1H3,(H,16,19)
InChIKeyYMPHRERZCBHZKG-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 115775139
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 71462066
N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
CID 93196917
N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 115775171
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (CID 131947637) is N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is COCCC(=O)N1CCC(CNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is YMPHRERZCBHZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-20-9-6-14(18)17-7-4-12(5-8-17)11-16-15(19)13-3-2-10-21-13/h2-3,10,12H,4-9,11H2,1H3,(H,16,19).
What are the key properties of N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 131947637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).