4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde

C20H25N5O — CID 146252780

IUPAC4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC1
InChIInChI=1S/C20H25N5O/c26-16-24-11-9-23(10-12-24)15-17-3-5-18(6-4-17)19-13-22-20(14-21-19)25-7-1-2-8-25/h3-6,13-14,16H,1-2,7-12,15H2
InChIKeyLTXBVPGDGMXAGT-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.02
Rot. Bonds5

About 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde

4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde (PubChem CID 146252780) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde
PubChem CID146252780
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC1
InChIInChI=1S/C20H25N5O/c26-16-24-11-9-23(10-12-24)15-17-3-5-18(6-4-17)19-13-22-20(14-21-19)25-7-1-2-8-25/h3-6,13-14,16H,1-2,7-12,15H2
InChIKeyLTXBVPGDGMXAGT-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
CID 146252770
1-(5-phenylpyrazin-2-yl)azepane
CID 166601448
4-[[5-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]methyl]morpholine
CID 146252768
1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
CID 146252821
2-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
CID 146252701
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 154575798
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde
CID 102546827
N-[(4-chlorophenyl)methyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278887
methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 158847619

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde (CID 146252780) is 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde is O=CN1CCN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC1.
What is the InChIKey of 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde?
The InChIKey is LTXBVPGDGMXAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-16-24-11-9-23(10-12-24)15-17-3-5-18(6-4-17)19-13-22-20(14-21-19)25-7-1-2-8-25/h3-6,13-14,16H,1-2,7-12,15H2.
What are the key properties of 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde?
4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde has a molecular weight of 351.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 146252780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).