1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide

C25H26N4O3 — CID 55903511

IUPAC1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1
InChIInChI=1S/C25H26N4O3/c30-23(26-19-10-11-19)18-12-14-28(15-13-18)25(32)22-20-8-4-5-9-21(20)24(31)29(27-22)16-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,26,30)
InChIKeyKBALQNJVIFYYRX-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.58
Rot. Bonds5

About 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide

1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 55903511) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID55903511
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1
InChIInChI=1S/C25H26N4O3/c30-23(26-19-10-11-19)18-12-14-28(15-13-18)25(32)22-20-8-4-5-9-21(20)24(31)29(27-22)16-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,26,30)
InChIKeyKBALQNJVIFYYRX-UHFFFAOYSA-N
XLogP2.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one
CID 119491082
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
2-benzyl-4-(4-methyl-1,4-diazepane-1-carbonyl)phthalazin-1-one
CID 78769150
2-benzyl-4-[(2R)-2-methylmorpholine-4-carbonyl]phthalazin-1-one
CID 41247250
2-benzyl-4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phthalazin-1-one
CID 99807086
methyl 1-[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]piperidine-4-carboxylate
CID 51153821
(2S)-4-(3-benzyl-4-oxophthalazine-1-carbonyl)morpholine-2-carboxylic acid
CID 125151520
3-benzyl-N-[3-(cyclopropanecarbonylamino)phenyl]-4-oxophthalazine-1-carboxamide
CID 46570301
3-benzyl-N'-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 42907780
2-benzyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 3942601
4-(4-benzoylpiperidine-1-carbonyl)-2-(2-methylpropyl)phthalazin-1-one
CID 55501102
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378633

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide (CID 55903511) is 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1.
What is the InChIKey of 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is KBALQNJVIFYYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-23(26-19-10-11-19)18-12-14-28(15-13-18)25(32)22-20-8-4-5-9-21(20)24(31)29(27-22)16-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,26,30).
What are the key properties of 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide?
1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 55903511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).