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

C18H23N5O2 — CID 87485853

IUPACN-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
SMILESCOc1ccc(-c2nccnc2N2CCN(CCNC=O)CC2)cc1
InChIInChI=1S/C18H23N5O2/c1-25-16-4-2-15(3-5-16)17-18(21-7-6-20-17)23-12-10-22(11-13-23)9-8-19-14-24/h2-7,14H,8-13H2,1H3,(H,19,24)
InChIKeyBTPCXDZWOSMMJE-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.02
Rot. Bonds7

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

N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide (PubChem CID 87485853) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
PubChem CID87485853
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
SMILESCOc1ccc(-c2nccnc2N2CCN(CCNC=O)CC2)cc1
InChIInChI=1S/C18H23N5O2/c1-25-16-4-2-15(3-5-16)17-18(21-7-6-20-17)23-12-10-22(11-13-23)9-8-19-14-24/h2-7,14H,8-13H2,1H3,(H,19,24)
InChIKeyBTPCXDZWOSMMJE-UHFFFAOYSA-N
XLogP1.02
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
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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Related Compounds

N-[2-[4-[3-[4-(hydroxymethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
CID 87373559
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59322079
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine;hydrochloride
CID 162331647
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59321903
ethane;2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine;prop-1-ene
CID 172594231
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 172594232
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 66864566
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine
CID 59321866
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine
CID 171339074
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62425678
2-(4-propan-2-yloxyphenyl)-3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 59321952

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide?
The IUPAC name of N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide (CID 87485853) is N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide?
The canonical SMILES for N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide is COc1ccc(-c2nccnc2N2CCN(CCNC=O)CC2)cc1.
What is the InChIKey of N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide?
The InChIKey is BTPCXDZWOSMMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-16-4-2-15(3-5-16)17-18(21-7-6-20-17)23-12-10-22(11-13-23)9-8-19-14-24/h2-7,14H,8-13H2,1H3,(H,19,24).
What are the key properties of N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide?
N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide has a molecular weight of 341.42 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide is sourced from PubChem (CID 87485853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).