4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide

C16H20N4O2 — CID 166250869

IUPAC4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(C(=O)CC#N)CC2)cc1
InChIInChI=1S/C16H20N4O2/c1-2-13-3-5-14(6-4-13)18-16(22)20-11-9-19(10-12-20)15(21)7-8-17/h3-6H,2,7,9-12H2,1H3,(H,18,22)
InChIKeyIHPCCPVPHNVKJB-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.84
Rot. Bonds3

About 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide

4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide (PubChem CID 166250869) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
PubChem CID166250869
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(C(=O)CC#N)CC2)cc1
InChIInChI=1S/C16H20N4O2/c1-2-13-3-5-14(6-4-13)18-16(22)20-11-9-19(10-12-20)15(21)7-8-17/h3-6H,2,7,9-12H2,1H3,(H,18,22)
InChIKeyIHPCCPVPHNVKJB-UHFFFAOYSA-N
XLogP1.84
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-(2-cyanoacetyl)-N-(3-methyl-4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 166250951
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331982
4-[bis(4-fluorophenyl)methyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 4988040
N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545
N-(4-ethylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944755
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide (CID 166250869) is 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(C(=O)CC#N)CC2)cc1.
What is the InChIKey of 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is IHPCCPVPHNVKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-13-3-5-14(6-4-13)18-16(22)20-11-9-19(10-12-20)15(21)7-8-17/h3-6H,2,7,9-12H2,1H3,(H,18,22).
What are the key properties of 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 166250869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).