N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide

C21H27N5O2 — CID 166602168

IUPACN-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCN(Cc3cncc(C)c3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-16-10-18(13-22-12-16)14-25-6-8-26(9-7-25)15-21(28)24-20-5-3-4-19(11-20)23-17(2)27/h3-5,10-13H,6-9,14-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyCCDJIGCOLKNPAS-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.10
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide

N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide (PubChem CID 166602168) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
PubChem CID166602168
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCN(Cc3cncc(C)c3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-16-10-18(13-22-12-16)14-25-6-8-26(9-7-25)15-21(28)24-20-5-3-4-19(11-20)23-17(2)27/h3-5,10-13H,6-9,14-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyCCDJIGCOLKNPAS-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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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602128
2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 166602045
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 166605762
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17279131
N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258558
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8597810
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16608497

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide (CID 166602168) is N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide is CC(=O)Nc1cccc(NC(=O)CN2CCN(Cc3cncc(C)c3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is CCDJIGCOLKNPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-10-18(13-22-12-16)14-25-6-8-26(9-7-25)15-21(28)24-20-5-3-4-19(11-20)23-17(2)27/h3-5,10-13H,6-9,14-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide?
N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-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-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 166602168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).