4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one

C17H23N5O2 — CID 136762292

IUPAC4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nn(CC(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)c(C)c1C
InChIInChI=1S/C17H23N5O2/c1-11-12(2)20-22(13(11)3)9-17(24)21-6-4-5-14(8-21)15-7-16(23)19-10-18-15/h7,10,14H,4-6,8-9H2,1-3H3,(H,18,19,23)/t14-/m0/s1
InChIKeyYMOXTHCBLFWIMT-AWEZNQCLSA-N
MW329.40 g/mol
LogP1.30
Rot. Bonds3

About 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one

4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136762292) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136762292
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nn(CC(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)c(C)c1C
InChIInChI=1S/C17H23N5O2/c1-11-12(2)20-22(13(11)3)9-17(24)21-6-4-5-14(8-21)15-7-16(23)19-10-18-15/h7,10,14H,4-6,8-9H2,1-3H3,(H,18,19,23)/t14-/m0/s1
InChIKeyYMOXTHCBLFWIMT-AWEZNQCLSA-N
XLogP1.30
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136762292) is 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one is Cc1nn(CC(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)c(C)c1C.
What is the InChIKey of 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is YMOXTHCBLFWIMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-12(2)20-22(13(11)3)9-17(24)21-6-4-5-14(8-21)15-7-16(23)19-10-18-15/h7,10,14H,4-6,8-9H2,1-3H3,(H,18,19,23)/t14-/m0/s1.
What are the key properties of 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one?
4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 329.40 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).