N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide

C15H22N6O2 — CID 47073306

IUPACN-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
SMILESCOc1ccnc(N2CCN(CC(=O)N(C)CCC#N)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-19(7-3-5-16)14(22)12-20-8-10-21(11-9-20)15-17-6-4-13(18-15)23-2/h4,6H,3,7-12H2,1-2H3
InChIKeyBQOQCRHNNPQUAL-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.02
Rot. Bonds6

About N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide

N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide (PubChem CID 47073306) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
PubChem CID47073306
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
SMILESCOc1ccnc(N2CCN(CC(=O)N(C)CCC#N)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-19(7-3-5-16)14(22)12-20-8-10-21(11-9-20)15-17-6-4-13(18-15)23-2/h4,6H,3,7-12H2,1-2H3
InChIKeyBQOQCRHNNPQUAL-UHFFFAOYSA-N
XLogP-0.02
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47528353
N-(2-cyanoethyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 43214087
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 94447840
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8543225
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 60585524
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 17448855
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104425
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide (CID 47073306) is N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide is COc1ccnc(N2CCN(CC(=O)N(C)CCC#N)CC2)n1.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is BQOQCRHNNPQUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-19(7-3-5-16)14(22)12-20-8-10-21(11-9-20)15-17-6-4-13(18-15)23-2/h4,6H,3,7-12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide?
N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 318.38 g/mol, XLogP of -0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 47073306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).