N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C22H30N4O2 — CID 87015098

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1OCCNC(=O)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C22H30N4O2/c1-18-6-5-7-19(2)22(18)28-15-10-24-21(27)17-26-13-11-25(12-14-26)16-20-8-3-4-9-23-20/h3-9H,10-17H2,1-2H3,(H,24,27)
InChIKeyIVQCCYHXXAEPOX-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.01
Rot. Bonds8

About N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 87015098) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID87015098
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1OCCNC(=O)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C22H30N4O2/c1-18-6-5-7-19(2)22(18)28-15-10-24-21(27)17-26-13-11-25(12-14-26)16-20-8-3-4-9-23-20/h3-9H,10-17H2,1-2H3,(H,24,27)
InChIKeyIVQCCYHXXAEPOX-UHFFFAOYSA-N
XLogP2.01
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 43036008
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897538
N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666961
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55477021
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
N-(4-methyl-3-nitrophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727808
(3S,4S)-1-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
CID 128987186

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 87015098) is N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is Cc1cccc(C)c1OCCNC(=O)CN1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is IVQCCYHXXAEPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-18-6-5-7-19(2)22(18)28-15-10-24-21(27)17-26-13-11-25(12-14-26)16-20-8-3-4-9-23-20/h3-9H,10-17H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 87015098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).