3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

C17H23ClN4O3 — CID 119442716

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C1CCNCC1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-20(12-6-9-18-10-7-12)15(22)8-11-21-17(24)14-5-3-2-4-13(14)16(23)19-21;/h2-5,12,18H,6-11H2,1H3,(H,19,23);1H
InChIKeyYHOYEUOWIGEYNW-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.71
Rot. Bonds4

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119442716) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119442716
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C1CCNCC1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-20(12-6-9-18-10-7-12)15(22)8-11-21-17(24)14-5-3-2-4-13(14)16(23)19-21;/h2-5,12,18H,6-11H2,1H3,(H,19,23);1H
InChIKeyYHOYEUOWIGEYNW-UHFFFAOYSA-N
XLogP0.71
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide
CID 24632559
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CID 40716364
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613645
2-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl-propan-2-ylamino]acetic acid
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CID 18195079
3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione
CID 32747148
N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide
CID 55380970
N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride
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3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-(2-methylsulfanylethyl)propanamide
CID 166239918
2-[butan-2-yl-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (CID 119442716) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is CN(C(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C1CCNCC1.Cl.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is YHOYEUOWIGEYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-20(12-6-9-18-10-7-12)15(22)8-11-21-17(24)14-5-3-2-4-13(14)16(23)19-21;/h2-5,12,18H,6-11H2,1H3,(H,19,23);1H.
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119442716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).