3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide

C24H28N4O2 — CID 55705156

IUPAC3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)c3nn(C)c(=O)c4ccccc34)cc2)C1
InChIInChI=1S/C24H28N4O2/c1-17-6-5-13-28(15-17)16-19-11-9-18(10-12-19)14-25-23(29)22-20-7-3-4-8-21(20)24(30)27(2)26-22/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,25,29)
InChIKeyKFVGDYMKIDGSTB-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.10
Rot. Bonds5

About 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide

3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide (PubChem CID 55705156) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
PubChem CID55705156
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)c3nn(C)c(=O)c4ccccc34)cc2)C1
InChIInChI=1S/C24H28N4O2/c1-17-6-5-13-28(15-17)16-19-11-9-18(10-12-19)14-25-23(29)22-20-7-3-4-8-21(20)24(30)27(2)26-22/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,25,29)
InChIKeyKFVGDYMKIDGSTB-UHFFFAOYSA-N
XLogP3.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxophthalazine-1-carboxamide
CID 24790624
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
CID 95231092
4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46775851
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94023972
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
4-bromo-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565345
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 46474109
2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46483205
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55814512
2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 55839998
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide (CID 55705156) is 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide is CC1CCCN(Cc2ccc(CNC(=O)c3nn(C)c(=O)c4ccccc34)cc2)C1.
What is the InChIKey of 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is KFVGDYMKIDGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-6-5-13-28(15-17)16-19-11-9-18(10-12-19)14-25-23(29)22-20-7-3-4-8-21(20)24(30)27(2)26-22/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,25,29).
What are the key properties of 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide?
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55705156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).