2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

C17H20N4O2S — CID 125167855

IUPAC2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)cs1
InChIInChI=1S/C17H20N4O2S/c1-12(22)15-8-13(11-24-15)9-16(23)20-14-4-2-7-21(10-14)17-18-5-3-6-19-17/h3,5-6,8,11,14H,2,4,7,9-10H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyFSQIJDDCSIYIRX-AWEZNQCLSA-N
MW344.44 g/mol
LogP2.07
Rot. Bonds5

About 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (PubChem CID 125167855) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
PubChem CID125167855
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)cs1
InChIInChI=1S/C17H20N4O2S/c1-12(22)15-8-13(11-24-15)9-16(23)20-14-4-2-7-21(10-14)17-18-5-3-6-19-17/h3,5-6,8,11,14H,2,4,7,9-10H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyFSQIJDDCSIYIRX-AWEZNQCLSA-N
XLogP2.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
2-(1-adamantyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100426
5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
CID 60794005
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 97138600
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45186054

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (CID 125167855) is 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is CC(=O)c1cc(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The InChIKey is FSQIJDDCSIYIRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12(22)15-8-13(11-24-15)9-16(23)20-14-4-2-7-21(10-14)17-18-5-3-6-19-17/h3,5-6,8,11,14H,2,4,7,9-10H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 125167855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).