3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione

C17H21N3O3 — CID 32747148

IUPAC3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione
SMILESC[C@@H]1CCCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-12-6-4-5-10-19(12)15(21)9-11-20-17(23)14-8-3-2-7-13(14)16(22)18-20/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyHLVSSUHHIWQZJL-GFCCVEGCSA-N
MW315.37 g/mol
LogP1.48
Rot. Bonds3

About 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione

3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione (PubChem CID 32747148) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione
PubChem CID32747148
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione
SMILESC[C@@H]1CCCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-12-6-4-5-10-19(12)15(21)9-11-20-17(23)14-8-3-2-7-13(14)16(22)18-20/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,18,22)/t12-/m1/s1
InChIKeyHLVSSUHHIWQZJL-GFCCVEGCSA-N
XLogP1.48
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione with MolForge

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Related Compounds

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 3999203
(2R,3R)-1-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115053
1-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966479
N-(cyclopentylmethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 39210877
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide
CID 24632559
[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 7225978
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 51473384
3-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione;hydrochloride
CID 119485102
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7503535
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione
CID 16614267

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione?
The IUPAC name of 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione (CID 32747148) is 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione is C[C@@H]1CCCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione?
The InChIKey is HLVSSUHHIWQZJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-6-4-5-10-19(12)15(21)9-11-20-17(23)14-8-3-2-7-13(14)16(22)18-20/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione?
3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione has a molecular weight of 315.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione is sourced from PubChem (CID 32747148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).