N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide

C23H29N5O — CID 109275408

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C23H29N5O/c29-23(24-12-11-19-7-3-1-4-8-19)21-17-26-22(18-25-21)28-15-13-27(14-16-28)20-9-5-2-6-10-20/h2,5-7,9-10,17-18H,1,3-4,8,11-16H2,(H,24,29)
InChIKeyAXIYVGWSEXLTHQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109275408) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109275408
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C23H29N5O/c29-23(24-12-11-19-7-3-1-4-8-19)21-17-26-22(18-25-21)28-15-13-27(14-16-28)20-9-5-2-6-10-20/h2,5-7,9-10,17-18H,1,3-4,8,11-16H2,(H,24,29)
InChIKeyAXIYVGWSEXLTHQ-UHFFFAOYSA-N
XLogP3.42
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109275377
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109251049
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299498
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271995
N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109183628
N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 51043011
N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide
CID 9118961
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108984169
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
CID 109113696
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109275408) is N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide is O=C(NCCC1=CCCCC1)c1cnc(N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is AXIYVGWSEXLTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c29-23(24-12-11-19-7-3-1-4-8-19)21-17-26-22(18-25-21)28-15-13-27(14-16-28)20-9-5-2-6-10-20/h2,5-7,9-10,17-18H,1,3-4,8,11-16H2,(H,24,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109275408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).