6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide

C18H21N5O — CID 56702748

IUPAC6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C18H21N5O/c19-18(24)16-13-20-14-17(21-16)23-11-9-22(10-12-23)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2,(H2,19,24)/b7-4+
InChIKeyUCWAQYOCRKPHNB-QPJJXVBHSA-N
MW323.40 g/mol
LogP1.41
Rot. Bonds5

About 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide

6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 56702748) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
PubChem CID56702748
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C18H21N5O/c19-18(24)16-13-20-14-17(21-16)23-11-9-22(10-12-23)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2,(H2,19,24)/b7-4+
InChIKeyUCWAQYOCRKPHNB-QPJJXVBHSA-N
XLogP1.41
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 163354935
N-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109124061
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109268
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 2058853
[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 755491
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938955
N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109353048
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide (CID 56702748) is 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide is NC(=O)c1cncc(N2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is UCWAQYOCRKPHNB-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H21N5O/c19-18(24)16-13-20-14-17(21-16)23-11-9-22(10-12-23)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2,(H2,19,24)/b7-4+.
What are the key properties of 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide?
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 56702748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).