N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide

C19H26N4O2 — CID 42690821

IUPACN-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide
SMILESCOCCCNC(=O)c1nnc(N2CCCCC2C)c2ccccc12
InChIInChI=1S/C19H26N4O2/c1-14-8-5-6-12-23(14)18-16-10-4-3-9-15(16)17(21-22-18)19(24)20-11-7-13-25-2/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H,20,24)
InChIKeyJFPLDORVPFVSJD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.77
Rot. Bonds6

About N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide

N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide (PubChem CID 42690821) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide
PubChem CID42690821
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide
SMILESCOCCCNC(=O)c1nnc(N2CCCCC2C)c2ccccc12
InChIInChI=1S/C19H26N4O2/c1-14-8-5-6-12-23(14)18-16-10-4-3-9-15(16)17(21-22-18)19(24)20-11-7-13-25-2/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H,20,24)
InChIKeyJFPLDORVPFVSJD-UHFFFAOYSA-N
XLogP2.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2S)-2-methylpiperidin-1-yl]-N-prop-2-enylphthalazine-1-carboxamide
CID 93009531
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
CID 42690850
N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690654
4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 42690593
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
6-(2-ethylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153328
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]phthalazine-1-carboxamide
CID 93009657
N-(3-methoxypropyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174450
3-benzyl-N-[4-(2-methylpiperidin-1-yl)butyl]-4-oxophthalazine-1-carboxamide
CID 55725176
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]methanone
CID 42690803
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide (CID 42690821) is N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide is COCCCNC(=O)c1nnc(N2CCCCC2C)c2ccccc12.
What is the InChIKey of N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide?
The InChIKey is JFPLDORVPFVSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-8-5-6-12-23(14)18-16-10-4-3-9-15(16)17(21-22-18)19(24)20-11-7-13-25-2/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H,20,24).
What are the key properties of N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide?
N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide is sourced from PubChem (CID 42690821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).