3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide

C19H26N4O2 — CID 95231092

IUPAC3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
SMILESCCCN1CCC[C@H](CNC(=O)c2nn(C)c(=O)c3ccccc23)C1
InChIInChI=1S/C19H26N4O2/c1-3-10-23-11-6-7-14(13-23)12-20-18(24)17-15-8-4-5-9-16(15)19(25)22(2)21-17/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyNOOOCEMXEUXQOD-CQSZACIVSA-N
MW342.44 g/mol
LogP1.79
Rot. Bonds5

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

3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide (PubChem CID 95231092) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
PubChem CID95231092
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
SMILESCCCN1CCC[C@H](CNC(=O)c2nn(C)c(=O)c3ccccc23)C1
InChIInChI=1S/C19H26N4O2/c1-3-10-23-11-6-7-14(13-23)12-20-18(24)17-15-8-4-5-9-16(15)19(25)22(2)21-17/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyNOOOCEMXEUXQOD-CQSZACIVSA-N
XLogP1.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide with MolForge

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Related Compounds

3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264807
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55705156
1-ethyl-N-[(1-propylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 56706392
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide
CID 95227494
3-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]phthalazine-1-carboxamide
CID 9163172
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide
CID 95215747
3-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxophthalazine-1-carboxamide
CID 24790624
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97282563

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide (CID 95231092) is 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide is CCCN1CCC[C@H](CNC(=O)c2nn(C)c(=O)c3ccccc23)C1.
What is the InChIKey of 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide?
The InChIKey is NOOOCEMXEUXQOD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-10-23-11-6-7-14(13-23)12-20-18(24)17-15-8-4-5-9-16(15)19(25)22(2)21-17/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide?
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide is sourced from PubChem (CID 95231092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).