N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide

C12H20N4O — CID 64518653

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CC1CCNCC1
InChIInChI=1S/C12H20N4O/c1-16(9-11-14-6-7-15-11)12(17)8-10-2-4-13-5-3-10/h6-7,10,13H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyZGHXQNIKFBVBKP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.76
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide (PubChem CID 64518653) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide
PubChem CID64518653
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CC1CCNCC1
InChIInChI=1S/C12H20N4O/c1-16(9-11-14-6-7-15-11)12(17)8-10-2-4-13-5-3-10/h6-7,10,13H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyZGHXQNIKFBVBKP-UHFFFAOYSA-N
XLogP0.76
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide (CID 64518653) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide is CN(Cc1ncc[nH]1)C(=O)CC1CCNCC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide?
The InChIKey is ZGHXQNIKFBVBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16(9-11-14-6-7-15-11)12(17)8-10-2-4-13-5-3-10/h6-7,10,13H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide is sourced from PubChem (CID 64518653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).