N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

C17H22N4O2 — CID 95329398

IUPACN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCN1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H22N4O2/c1-2-21-10-6-5-7-12(21)11-18-17(23)15-13-8-3-4-9-14(13)16(22)20-19-15/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,23)(H,20,22)/t12-/m1/s1
InChIKeyVQUANSIYYFXONN-GFCCVEGCSA-N
MW314.39 g/mol
LogP1.53
Rot. Bonds4

About N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 95329398) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID95329398
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCN1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H22N4O2/c1-2-21-10-6-5-7-12(21)11-18-17(23)15-13-8-3-4-9-14(13)16(22)20-19-15/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,23)(H,20,22)/t12-/m1/s1
InChIKeyVQUANSIYYFXONN-GFCCVEGCSA-N
XLogP1.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9087740
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166188485
N-[2-(2-ethylpiperidin-1-yl)ethyl]-1H-indazole-3-carboxamide
CID 154737859
3-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxophthalazine-1-carboxamide
CID 4230036
4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
CID 46598237
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
CID 83202693
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 71935198

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 95329398) is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is CCN1CCCC[C@@H]1CNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is VQUANSIYYFXONN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-21-10-6-5-7-12(21)11-18-17(23)15-13-8-3-4-9-14(13)16(22)20-19-15/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,23)(H,20,22)/t12-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 95329398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).