N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide

C12H20N4O — CID 54910933

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1[nH]ncc1CNC(=O)CC1CCNCC1
InChIInChI=1S/C12H20N4O/c1-9-11(8-15-16-9)7-14-12(17)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyYVFKPWDXPOIAGS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.72
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide (PubChem CID 54910933) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide
PubChem CID54910933
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1[nH]ncc1CNC(=O)CC1CCNCC1
InChIInChI=1S/C12H20N4O/c1-9-11(8-15-16-9)7-14-12(17)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyYVFKPWDXPOIAGS-UHFFFAOYSA-N
XLogP0.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide (CID 54910933) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide is Cc1[nH]ncc1CNC(=O)CC1CCNCC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide?
The InChIKey is YVFKPWDXPOIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(8-15-16-9)7-14-12(17)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 54910933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).