N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide

C21H27N5O2 — CID 56752007

IUPACN-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)CN1CCN(Cc2ncccc2C)CC1
InChIInChI=1S/C21H27N5O2/c1-16-6-5-9-22-20(16)14-25-10-12-26(13-11-25)15-21(28)24-19-8-4-3-7-18(19)23-17(2)27/h3-9H,10-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYSQDURAPGDJLFI-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.10
Rot. Bonds6

About N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide

N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide (PubChem CID 56752007) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
PubChem CID56752007
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccccc1NC(=O)CN1CCN(Cc2ncccc2C)CC1
InChIInChI=1S/C21H27N5O2/c1-16-6-5-9-22-20(16)14-25-10-12-26(13-11-25)15-21(28)24-19-8-4-3-7-18(19)23-17(2)27/h3-9H,10-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYSQDURAPGDJLFI-UHFFFAOYSA-N
XLogP2.10
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide (CID 56752007) is N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide is CC(=O)Nc1ccccc1NC(=O)CN1CCN(Cc2ncccc2C)CC1.
What is the InChIKey of N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is YSQDURAPGDJLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-6-5-9-22-20(16)14-25-10-12-26(13-11-25)15-21(28)24-19-8-4-3-7-18(19)23-17(2)27/h3-9H,10-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide?
N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 56752007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).