4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide

C15H18N4O2 — CID 71564585

IUPAC4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide
SMILESO=C(NCC1CCCNC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H18N4O2/c20-14-12-6-2-1-5-11(12)13(18-19-14)15(21)17-9-10-4-3-7-16-8-10/h1-2,5-6,10,16H,3-4,7-9H2,(H,17,21)(H,19,20)
InChIKeyJSPSDDKQPXOIDQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.65
Rot. Bonds3

About 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide

4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide (PubChem CID 71564585) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide
PubChem CID71564585
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide
SMILESO=C(NCC1CCCNC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H18N4O2/c20-14-12-6-2-1-5-11(12)13(18-19-14)15(21)17-9-10-4-3-7-16-8-10/h1-2,5-6,10,16H,3-4,7-9H2,(H,17,21)(H,19,20)
InChIKeyJSPSDDKQPXOIDQ-UHFFFAOYSA-N
XLogP0.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29478544
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95329398
N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
CID 83202693
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462022
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166186565
N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119463068

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide (CID 71564585) is 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide is O=C(NCC1CCCNC1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide?
The InChIKey is JSPSDDKQPXOIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-12-6-2-1-5-11(12)13(18-19-14)15(21)17-9-10-4-3-7-16-8-10/h1-2,5-6,10,16H,3-4,7-9H2,(H,17,21)(H,19,20).
What are the key properties of 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide?
4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 71564585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).