N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C16H28N4O — CID 72887240

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1cc(CNC(=O)CC2CCN(C(C)C)CC2)n(C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)20-7-5-14(6-8-20)10-16(21)17-11-15-9-13(3)18-19(15)4/h9,12,14H,5-8,10-11H2,1-4H3,(H,17,21)
InChIKeyRFDPHJARIXLGIE-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.86
Rot. Bonds5

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72887240) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72887240
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1cc(CNC(=O)CC2CCN(C(C)C)CC2)n(C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)20-7-5-14(6-8-20)10-16(21)17-11-15-9-13(3)18-19(15)4/h9,12,14H,5-8,10-11H2,1-4H3,(H,17,21)
InChIKeyRFDPHJARIXLGIE-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72887240) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is Cc1cc(CNC(=O)CC2CCN(C(C)C)CC2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is RFDPHJARIXLGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)20-7-5-14(6-8-20)10-16(21)17-11-15-9-13(3)18-19(15)4/h9,12,14H,5-8,10-11H2,1-4H3,(H,17,21).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 292.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72887240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).