N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C21H28N4O2 — CID 55477021

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H28N4O2/c1-17(19-8-3-4-9-20(19)27-2)23-21(26)16-25-13-11-24(12-14-25)15-18-7-5-6-10-22-18/h3-10,17H,11-16H2,1-2H3,(H,23,26)
InChIKeyYFJDMMFMLXBHDC-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.09
Rot. Bonds7

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

N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 55477021) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID55477021
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H28N4O2/c1-17(19-8-3-4-9-20(19)27-2)23-21(26)16-25-13-11-24(12-14-25)15-18-7-5-6-10-22-18/h3-10,17H,11-16H2,1-2H3,(H,23,26)
InChIKeyYFJDMMFMLXBHDC-UHFFFAOYSA-N
XLogP2.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 55477021) is N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is COc1ccccc1C(C)NC(=O)CN1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is YFJDMMFMLXBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17(19-8-3-4-9-20(19)27-2)23-21(26)16-25-13-11-24(12-14-25)15-18-7-5-6-10-22-18/h3-10,17H,11-16H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55477021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).