N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide

C18H23N5O2 — CID 87373559

IUPACN-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
SMILESO=CNCCN1CCN(c2nccnc2-c2ccc(CO)cc2)CC1
InChIInChI=1S/C18H23N5O2/c24-13-15-1-3-16(4-2-15)17-18(21-6-5-20-17)23-11-9-22(10-12-23)8-7-19-14-25/h1-6,14,24H,7-13H2,(H,19,25)
InChIKeyROBARFHOUNOEMV-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.50
Rot. Bonds7

About N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide

N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide (PubChem CID 87373559) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
PubChem CID87373559
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
SMILESO=CNCCN1CCN(c2nccnc2-c2ccc(CO)cc2)CC1
InChIInChI=1S/C18H23N5O2/c24-13-15-1-3-16(4-2-15)17-18(21-6-5-20-17)23-11-9-22(10-12-23)8-7-19-14-25/h1-6,14,24H,7-13H2,(H,19,25)
InChIKeyROBARFHOUNOEMV-UHFFFAOYSA-N
XLogP0.50
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide?
The IUPAC name of N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide (CID 87373559) is N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide?
The canonical SMILES for N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide is O=CNCCN1CCN(c2nccnc2-c2ccc(CO)cc2)CC1.
What is the InChIKey of N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide?
The InChIKey is ROBARFHOUNOEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-13-15-1-3-16(4-2-15)17-18(21-6-5-20-17)23-11-9-22(10-12-23)8-7-19-14-25/h1-6,14,24H,7-13H2,(H,19,25).
What are the key properties of N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide?
N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide has a molecular weight of 341.42 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide is sourced from PubChem (CID 87373559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).