5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide

C25H34N4O2 — CID 141076818

IUPAC5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide
SMILESCOC1CCN(CCCCC(=O)Nc2cccc(-c3nncc4c3CCCC4)c2)CC1
InChIInChI=1S/C25H34N4O2/c1-31-22-12-15-29(16-13-22)14-5-4-11-24(30)27-21-9-6-8-19(17-21)25-23-10-3-2-7-20(23)18-26-28-25/h6,8-9,17-18,22H,2-5,7,10-16H2,1H3,(H,27,30)
InChIKeyLKHMHVWLENJFRD-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.24
Rot. Bonds8

About 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide

5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide (PubChem CID 141076818) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide
PubChem CID141076818
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide
SMILESCOC1CCN(CCCCC(=O)Nc2cccc(-c3nncc4c3CCCC4)c2)CC1
InChIInChI=1S/C25H34N4O2/c1-31-22-12-15-29(16-13-22)14-5-4-11-24(30)27-21-9-6-8-19(17-21)25-23-10-3-2-7-20(23)18-26-28-25/h6,8-9,17-18,22H,2-5,7,10-16H2,1H3,(H,27,30)
InChIKeyLKHMHVWLENJFRD-UHFFFAOYSA-N
XLogP4.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.24
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

3-(prop-2-ynylamino)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]propanamide
CID 141076789
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-6-pyrrolidin-1-ylhexanamide
CID 10150883
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243967
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]hexanamide
CID 24686603
5-[3-(methoxymethyl)piperidin-1-yl]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449738
4-methoxy-N-[3-(2-methyltetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118764405
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide
CID 66965535
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide (CID 141076818) is 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide is COC1CCN(CCCCC(=O)Nc2cccc(-c3nncc4c3CCCC4)c2)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide?
The InChIKey is LKHMHVWLENJFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-31-22-12-15-29(16-13-22)14-5-4-11-24(30)27-21-9-6-8-19(17-21)25-23-10-3-2-7-20(23)18-26-28-25/h6,8-9,17-18,22H,2-5,7,10-16H2,1H3,(H,27,30).
What are the key properties of 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide?
5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide has a molecular weight of 422.57 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)-N-[3-(5,6,7,8-tetrahydrophthalazin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 141076818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).