4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one

C21H28N4O3 — CID 171527850

IUPAC4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(OC)cc1.Nc1ccc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C11H14O2.C10H14N4O/c1-3-4-11(12)9-5-7-10(13-2)8-6-9;11-10-2-1-9(7-12-10)14-5-3-13(8-15)4-6-14/h5-8H,3-4H2,1-2H3;1-2,7-8H,3-6H2,(H2,11,12)
InChIKeyIMZAQFWJDGSGDY-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.62
Rot. Bonds6

About 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one

4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one (PubChem CID 171527850) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one
PubChem CID171527850
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(OC)cc1.Nc1ccc(N2CCN(C=O)CC2)cn1
InChIInChI=1S/C11H14O2.C10H14N4O/c1-3-4-11(12)9-5-7-10(13-2)8-6-9;11-10-2-1-9(7-12-10)14-5-3-13(8-15)4-6-14/h5-8H,3-4H2,1-2H3;1-2,7-8H,3-6H2,(H2,11,12)
InChIKeyIMZAQFWJDGSGDY-UHFFFAOYSA-N
XLogP2.62
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
5-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109187084
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
CID 107937396
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
CID 108995948
5-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-amine
CID 80651957
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dipropylpyridine-2-carboxamide
CID 109196532
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 142371904
3-(3,4-dimethoxyphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113026085
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one?
The IUPAC name of 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one (CID 171527850) is 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one?
The canonical SMILES for 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one is CCCC(=O)c1ccc(OC)cc1.Nc1ccc(N2CCN(C=O)CC2)cn1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one?
The InChIKey is IMZAQFWJDGSGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C10H14N4O/c1-3-4-11(12)9-5-7-10(13-2)8-6-9;11-10-2-1-9(7-12-10)14-5-3-13(8-15)4-6-14/h5-8H,3-4H2,1-2H3;1-2,7-8H,3-6H2,(H2,11,12).
What are the key properties of 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one?
4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one has a molecular weight of 384.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)piperazine-1-carbaldehyde;1-(4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 171527850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).