5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide

C17H27N3O2S — CID 32527024

IUPAC5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NC2CCN(CC(=O)NC)CC2)sc1C
InChIInChI=1S/C17H27N3O2S/c1-4-5-13-10-15(23-12(13)2)17(22)19-14-6-8-20(9-7-14)11-16(21)18-3/h10,14H,4-9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyIIUFQHYOROJKEU-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.95
Rot. Bonds6

About 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide

5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide (PubChem CID 32527024) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide
PubChem CID32527024
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NC2CCN(CC(=O)NC)CC2)sc1C
InChIInChI=1S/C17H27N3O2S/c1-4-5-13-10-15(23-12(13)2)17(22)19-14-6-8-20(9-7-14)11-16(21)18-3/h10,14H,4-9,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyIIUFQHYOROJKEU-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16589774
4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 78868483
4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide
CID 47114418
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 104957169
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 154737089
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47170091
5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46433872
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 32525655
N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448249
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 16613362
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide
CID 114549705

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide (CID 32527024) is 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NC2CCN(CC(=O)NC)CC2)sc1C.
What is the InChIKey of 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide?
The InChIKey is IIUFQHYOROJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-5-13-10-15(23-12(13)2)17(22)19-14-6-8-20(9-7-14)11-16(21)18-3/h10,14H,4-9,11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide?
5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 32527024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).