2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

C14H24N4O2 — CID 70712295

IUPAC2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CC[C@](C)(O)C(C)(C)C2)n1
InChIInChI=1S/C14H24N4O2/c1-13(2)10-18(8-6-14(13,3)20)9-12(19)15-11-5-7-17(4)16-11/h5,7,20H,6,8-10H2,1-4H3,(H,15,16,19)/t14-/m0/s1
InChIKeyAKFJDPANBDCZKM-AWEZNQCLSA-N
MW280.37 g/mol
LogP0.84
Rot. Bonds3

About 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 70712295) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID70712295
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CC[C@](C)(O)C(C)(C)C2)n1
InChIInChI=1S/C14H24N4O2/c1-13(2)10-18(8-6-14(13,3)20)9-12(19)15-11-5-7-17(4)16-11/h5,7,20H,6,8-10H2,1-4H3,(H,15,16,19)/t14-/m0/s1
InChIKeyAKFJDPANBDCZKM-AWEZNQCLSA-N
XLogP0.84
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 70712295) is 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)CN2CC[C@](C)(O)C(C)(C)C2)n1.
What is the InChIKey of 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is AKFJDPANBDCZKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-13(2)10-18(8-6-14(13,3)20)9-12(19)15-11-5-7-17(4)16-11/h5,7,20H,6,8-10H2,1-4H3,(H,15,16,19)/t14-/m0/s1.
What are the key properties of 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 70712295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).