4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one

C19H26N4O2 — CID 119492763

IUPAC4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
SMILESCNC1CCCN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)C1
InChIInChI=1S/C19H26N4O2/c1-13(2)11-23-18(24)16-9-5-4-8-15(16)17(21-23)19(25)22-10-6-7-14(12-22)20-3/h4-5,8-9,13-14,20H,6-7,10-12H2,1-3H3
InChIKeyAHESDJSPUSKUMP-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.88
Rot. Bonds4

About 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one

4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one (PubChem CID 119492763) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one.

Molecular Properties

Compound Name4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
PubChem CID119492763
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
SMILESCNC1CCCN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)C1
InChIInChI=1S/C19H26N4O2/c1-13(2)11-23-18(24)16-9-5-4-8-15(16)17(21-23)19(25)22-10-6-7-14(12-22)20-3/h4-5,8-9,13-14,20H,6-7,10-12H2,1-3H3
InChIKeyAHESDJSPUSKUMP-UHFFFAOYSA-N
XLogP1.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one
CID 119491082
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 9294544
4-(3-aminopyrrolidine-1-carbonyl)-2-(2-methylpropyl)phthalazin-1-one;hydrochloride
CID 75513715
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2-(2-methylpropyl)phthalazin-1-one;hydrochloride
CID 119638650
methyl 1-[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]piperidine-4-carboxylate
CID 51153821
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one;hydrochloride
CID 119624762
4-(1,4-diazepane-1-carbonyl)-2-(2-methylpropyl)phthalazin-1-one
CID 119417936
4-(4-benzoylpiperidine-1-carbonyl)-2-(2-methylpropyl)phthalazin-1-one
CID 55501102
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-pentylphthalazin-1-one
CID 119592753
4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 95582769
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9087740

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one?
The IUPAC name of 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one (CID 119492763) is 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one.
What is the SMILES notation for 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one?
The canonical SMILES for 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one is CNC1CCCN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)C1.
What is the InChIKey of 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one?
The InChIKey is AHESDJSPUSKUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)11-23-18(24)16-9-5-4-8-15(16)17(21-23)19(25)22-10-6-7-14(12-22)20-3/h4-5,8-9,13-14,20H,6-7,10-12H2,1-3H3.
What are the key properties of 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one?
4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one has a molecular weight of 342.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one is sourced from PubChem (CID 119492763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).