3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide

C14H20N4O2 — CID 109017955

IUPAC3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=CN1CCN(CCC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H20N4O2/c19-12-18-9-7-17(8-10-18)6-4-14(20)16-11-13-3-1-2-5-15-13/h1-3,5,12H,4,6-11H2,(H,16,20)
InChIKeyQMUPRPBYHKBLPO-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.14
Rot. Bonds6

About 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 109017955) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID109017955
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=CN1CCN(CCC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H20N4O2/c19-12-18-9-7-17(8-10-18)6-4-14(20)16-11-13-3-1-2-5-15-13/h1-3,5,12H,4,6-11H2,(H,16,20)
InChIKeyQMUPRPBYHKBLPO-UHFFFAOYSA-N
XLogP-0.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109096906
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-(4-methylpiperazin-1-yl)-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108944337
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 109017955) is 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide is O=CN1CCN(CCC(=O)NCc2ccccn2)CC1.
What is the InChIKey of 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is QMUPRPBYHKBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-12-18-9-7-17(8-10-18)6-4-14(20)16-11-13-3-1-2-5-15-13/h1-3,5,12H,4,6-11H2,(H,16,20).
What are the key properties of 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 276.34 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 109017955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).