N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide

C12H20N4O — CID 113400450

IUPACN-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide
SMILESCC1(CNC(=O)Cn2cccn2)CCCNC1
InChIInChI=1S/C12H20N4O/c1-12(4-2-5-13-9-12)10-14-11(17)8-16-7-3-6-15-16/h3,6-7,13H,2,4-5,8-10H2,1H3,(H,14,17)
InChIKeyHBLYXMXMXMVFOM-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.39
Rot. Bonds4

About N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide

N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide (PubChem CID 113400450) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide
PubChem CID113400450
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide
SMILESCC1(CNC(=O)Cn2cccn2)CCCNC1
InChIInChI=1S/C12H20N4O/c1-12(4-2-5-13-9-12)10-14-11(17)8-16-7-3-6-15-16/h3,6-7,13H,2,4-5,8-10H2,1H3,(H,14,17)
InChIKeyHBLYXMXMXMVFOM-UHFFFAOYSA-N
XLogP0.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide (CID 113400450) is N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide is CC1(CNC(=O)Cn2cccn2)CCCNC1.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is HBLYXMXMXMVFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(4-2-5-13-9-12)10-14-11(17)8-16-7-3-6-15-16/h3,6-7,13H,2,4-5,8-10H2,1H3,(H,14,17).
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide?
N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-3-yl)methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 113400450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).