3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide

C19H26N2O3S — CID 45186054

IUPAC3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide
SMILESCC(=O)c1cc(CC(=O)N2CCCC(CCC(=O)NC3CC3)C2)cs1
InChIInChI=1S/C19H26N2O3S/c1-13(22)17-9-15(12-25-17)10-19(24)21-8-2-3-14(11-21)4-7-18(23)20-16-5-6-16/h9,12,14,16H,2-8,10-11H2,1H3,(H,20,23)
InChIKeyMJNWQBMOILZLMA-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.79
Rot. Bonds7

About 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide

3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide (PubChem CID 45186054) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide
PubChem CID45186054
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide
SMILESCC(=O)c1cc(CC(=O)N2CCCC(CCC(=O)NC3CC3)C2)cs1
InChIInChI=1S/C19H26N2O3S/c1-13(22)17-9-15(12-25-17)10-19(24)21-8-2-3-14(11-21)4-7-18(23)20-16-5-6-16/h9,12,14,16H,2-8,10-11H2,1H3,(H,20,23)
InChIKeyMJNWQBMOILZLMA-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45238209
N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 45235322
[(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125174451
1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70780899
2-(5-acetylthiophen-3-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72896877
2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 125167855
N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
2-[2-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72844240
N-cyclopropyl-3-[(3R)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]propanamide
CID 42119464
N-cyclopropyl-3-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]propanamide
CID 42119469
N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 118789182

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide (CID 45186054) is 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide is CC(=O)c1cc(CC(=O)N2CCCC(CCC(=O)NC3CC3)C2)cs1.
What is the InChIKey of 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The InChIKey is MJNWQBMOILZLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-13(22)17-9-15(12-25-17)10-19(24)21-8-2-3-14(11-21)4-7-18(23)20-16-5-6-16/h9,12,14,16H,2-8,10-11H2,1H3,(H,20,23).
What are the key properties of 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide?
3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide has a molecular weight of 362.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 45186054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).