N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide

C24H28N4O4 — CID 22150166

IUPACN-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide
SMILESCOc1cc2cnn(CCN3CCC(NC(=O)c4ccccc4)CC3)c(=O)c2cc1OC
InChIInChI=1S/C24H28N4O4/c1-31-21-14-18-16-25-28(24(30)20(18)15-22(21)32-2)13-12-27-10-8-19(9-11-27)26-23(29)17-6-4-3-5-7-17/h3-7,14-16,19H,8-13H2,1-2H3,(H,26,29)
InChIKeyNLRVEKYWIJCICT-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.31
Rot. Bonds7

About N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide

N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide (PubChem CID 22150166) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide
PubChem CID22150166
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide
SMILESCOc1cc2cnn(CCN3CCC(NC(=O)c4ccccc4)CC3)c(=O)c2cc1OC
InChIInChI=1S/C24H28N4O4/c1-31-21-14-18-16-25-28(24(30)20(18)15-22(21)32-2)13-12-27-10-8-19(9-11-27)26-23(29)17-6-4-3-5-7-17/h3-7,14-16,19H,8-13H2,1-2H3,(H,26,29)
InChIKeyNLRVEKYWIJCICT-UHFFFAOYSA-N
XLogP2.31
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide
CID 24574365
2-ethyl-6,7-dimethoxyphthalazin-1-one
CID 125457648
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-(4-amino-4-oxobutyl)piperidin-4-yl]benzamide;methyl 4-(4-benzamidopiperidin-1-yl)butanoate
CID 21434692
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride
CID 67615347
N-[1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 46576773
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
CID 91777421
1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 47079917

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide (CID 22150166) is N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide is COc1cc2cnn(CCN3CCC(NC(=O)c4ccccc4)CC3)c(=O)c2cc1OC.
What is the InChIKey of N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is NLRVEKYWIJCICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-31-21-14-18-16-25-28(24(30)20(18)15-22(21)32-2)13-12-27-10-8-19(9-11-27)26-23(29)17-6-4-3-5-7-17/h3-7,14-16,19H,8-13H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide?
N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6,7-dimethoxy-1-oxophthalazin-2-yl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 22150166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).