3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide

C20H28N4O2 — CID 119558691

IUPAC3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)NCCC2CCCNC2)c2ccccc2c1=O
InChIInChI=1S/C20H28N4O2/c1-14(2)13-24-20(26)17-8-4-3-7-16(17)18(23-24)19(25)22-11-9-15-6-5-10-21-12-15/h3-4,7-8,14-15,21H,5-6,9-13H2,1-2H3,(H,22,25)
InChIKeyKXTVYKLHDJQTIS-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.17
Rot. Bonds6

About 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide

3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide (PubChem CID 119558691) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide
PubChem CID119558691
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)NCCC2CCCNC2)c2ccccc2c1=O
InChIInChI=1S/C20H28N4O2/c1-14(2)13-24-20(26)17-8-4-3-7-16(17)18(23-24)19(25)22-11-9-15-6-5-10-21-12-15/h3-4,7-8,14-15,21H,5-6,9-13H2,1-2H3,(H,22,25)
InChIKeyKXTVYKLHDJQTIS-UHFFFAOYSA-N
XLogP2.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51222711
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 119458817
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056
N-[(2R)-2-(ethylamino)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 120653191
4-(1,4-diazepane-1-carbonyl)-2-(2-methylpropyl)phthalazin-1-one
CID 119417936
N-[2-(1H-indol-3-yl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 78767432
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55710882
N-(2-amino-1-cyclohexylethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 119591581
3-(2-methylpropyl)-4-oxo-N-[1-(phenylcarbamoyl)piperidin-4-yl]phthalazine-1-carboxamide
CID 55501814
N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride
CID 119997836
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 112836964
1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119556680

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide (CID 119558691) is 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide is CC(C)Cn1nc(C(=O)NCCC2CCCNC2)c2ccccc2c1=O.
What is the InChIKey of 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide?
The InChIKey is KXTVYKLHDJQTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)13-24-20(26)17-8-4-3-7-16(17)18(23-24)19(25)22-11-9-15-6-5-10-21-12-15/h3-4,7-8,14-15,21H,5-6,9-13H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide?
3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-oxo-N-(2-piperidin-3-ylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 119558691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).