N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide

C21H26N4O3 — CID 46539232

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H26N4O3/c1-2-11-25-21(28)17-6-4-3-5-16(17)18(23-25)19(26)22-15-9-12-24(13-10-15)20(27)14-7-8-14/h3-6,14-15H,2,7-13H2,1H3,(H,22,26)
InChIKeyXIQOTTVBVHAHTK-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.94
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 46539232) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID46539232
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H26N4O3/c1-2-11-25-21(28)17-6-4-3-5-16(17)18(23-25)19(26)22-15-9-12-24(13-10-15)20(27)14-7-8-14/h3-6,14-15H,2,7-13H2,1H3,(H,22,26)
InChIKeyXIQOTTVBVHAHTK-UHFFFAOYSA-N
XLogP1.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 17409229
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 17420770
3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264807
3-(2-methylpropyl)-4-oxo-N-[1-(phenylcarbamoyl)piperidin-4-yl]phthalazine-1-carboxamide
CID 55501814
N'-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55683318
4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264776
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55710882
N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 42888146
2,2,2-trifluoroethyl 4-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 46538816
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70077964

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide (CID 46539232) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c2ccccc2c1=O.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is XIQOTTVBVHAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-11-25-21(28)17-6-4-3-5-16(17)18(23-25)19(26)22-15-9-12-24(13-10-15)20(27)14-7-8-14/h3-6,14-15H,2,7-13H2,1H3,(H,22,26).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 46539232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).