3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide

C18H26N2O2S — CID 45238209

IUPAC3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
SMILESCC(=O)c1cc(CN2CCCC(CCC(=O)NC3CC3)C2)cs1
InChIInChI=1S/C18H26N2O2S/c1-13(21)17-9-15(12-23-17)11-20-8-2-3-14(10-20)4-7-18(22)19-16-5-6-16/h9,12,14,16H,2-8,10-11H2,1H3,(H,19,22)
InChIKeyOBMRAQSCIJXDBN-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.22
Rot. Bonds7

About 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide

3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide (PubChem CID 45238209) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
PubChem CID45238209
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
SMILESCC(=O)c1cc(CN2CCCC(CCC(=O)NC3CC3)C2)cs1
InChIInChI=1S/C18H26N2O2S/c1-13(21)17-9-15(12-23-17)11-20-8-2-3-14(10-20)4-7-18(22)19-16-5-6-16/h9,12,14,16H,2-8,10-11H2,1H3,(H,19,22)
InChIKeyOBMRAQSCIJXDBN-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45186054
N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 45210494
N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 42358991
3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 56717845
N-cyclopropyl-3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]propanamide
CID 45180081
1-[4-[[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 92659526
N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 26318359
1-[4-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 72868869
1-[4-[[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 29154396
1-[4-[[(6S)-4-acetyl-6-hydroxy-1,4-diazepan-1-yl]methyl]thiophen-2-yl]ethanone
CID 97128212
1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 42564503
1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 74231673

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide (CID 45238209) is 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide is CC(=O)c1cc(CN2CCCC(CCC(=O)NC3CC3)C2)cs1.
What is the InChIKey of 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The InChIKey is OBMRAQSCIJXDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-13(21)17-9-15(12-23-17)11-20-8-2-3-14(10-20)4-7-18(22)19-16-5-6-16/h9,12,14,16H,2-8,10-11H2,1H3,(H,19,22).
What are the key properties of 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide?
3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide has a molecular weight of 334.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 45238209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).