2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one

C17H21N3O3 — CID 56810543

IUPAC2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
SMILESCCn1nc(C(=O)N2CCC(OC)CC2)c2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-3-20-16(21)14-7-5-4-6-13(14)15(18-20)17(22)19-10-8-12(23-2)9-11-19/h4-7,12H,3,8-11H2,1-2H3
InChIKeyPTYXNEFYPCMCOL-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.67
Rot. Bonds3

About 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one

2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one (PubChem CID 56810543) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
PubChem CID56810543
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
SMILESCCn1nc(C(=O)N2CCC(OC)CC2)c2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-3-20-16(21)14-7-5-4-6-13(14)15(18-20)17(22)19-10-8-12(23-2)9-11-19/h4-7,12H,3,8-11H2,1-2H3
InChIKeyPTYXNEFYPCMCOL-UHFFFAOYSA-N
XLogP1.67
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 56810545
2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 49071749
4-[4-(4,5-difluoro-2-methoxyphenyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630933
1-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433439
4-[4-[(1E,3E)-1,4-diamino-3-methoxybuta-1,3-dienyl]piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630530
methyl 1-[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]piperidine-4-carboxylate
CID 51153821
ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171631020
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one
CID 94637107
2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one
CID 75459961
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one;hydrochloride
CID 119624762

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one?
The IUPAC name of 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one (CID 56810543) is 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one is CCn1nc(C(=O)N2CCC(OC)CC2)c2ccccc2c1=O.
What is the InChIKey of 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one?
The InChIKey is PTYXNEFYPCMCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-20-16(21)14-7-5-4-6-13(14)15(18-20)17(22)19-10-8-12(23-2)9-11-19/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one?
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one has a molecular weight of 315.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one is sourced from PubChem (CID 56810543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).