2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

C22H27N5O2 — CID 134031871

IUPAC2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2CCN(c3ncccc3C#N)CC2)cc1
InChIInChI=1S/C22H27N5O2/c1-3-29-20-8-6-18(7-9-20)16-25(2)21(28)17-26-11-13-27(14-12-26)22-19(15-23)5-4-10-24-22/h4-10H,3,11-14,16-17H2,1-2H3
InChIKeyYVRYIWURPFNUIF-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.13
Rot. Bonds7

About 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 134031871) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
PubChem CID134031871
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2CCN(c3ncccc3C#N)CC2)cc1
InChIInChI=1S/C22H27N5O2/c1-3-29-20-8-6-18(7-9-20)16-25(2)21(28)17-26-11-13-27(14-12-26)22-19(15-23)5-4-10-24-22/h4-10H,3,11-14,16-17H2,1-2H3
InChIKeyYVRYIWURPFNUIF-UHFFFAOYSA-N
XLogP2.13
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 134031963
N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687133
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 121108927
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595306
2-(1,4-diazepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119905975
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91841684
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 8531367
N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60940005
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 120775332
3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55455435

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (CID 134031871) is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is CCOc1ccc(CN(C)C(=O)CN2CCN(c3ncccc3C#N)CC2)cc1.
What is the InChIKey of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is YVRYIWURPFNUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-29-20-8-6-18(7-9-20)16-25(2)21(28)17-26-11-13-27(14-12-26)22-19(15-23)5-4-10-24-22/h4-10H,3,11-14,16-17H2,1-2H3.
What are the key properties of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 393.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 134031871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).