2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C19H25N5O — CID 31921028

IUPAC2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc12
InChIInChI=1S/C19H25N5O/c1-15-16-6-2-3-7-17(16)19(21-20-15)24-12-10-22(11-13-24)14-18(25)23-8-4-5-9-23/h2-3,6-7H,4-5,8-14H2,1H3
InChIKeyPCBDZPHEESBIFA-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.68
Rot. Bonds3

About 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 31921028) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID31921028
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc12
InChIInChI=1S/C19H25N5O/c1-15-16-6-2-3-7-17(16)19(21-20-15)24-12-10-22(11-13-24)14-18(25)23-8-4-5-9-23/h2-3,6-7H,4-5,8-14H2,1H3
InChIKeyPCBDZPHEESBIFA-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39950031
1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 2952093
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155974342
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
2-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 17491715
1-(4-methylphthalazin-1-yl)piperidin-4-one
CID 43395101
6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 25498346
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
2-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30756630
2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56806210
[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903220

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 31921028) is 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)c2ccccc12.
What is the InChIKey of 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is PCBDZPHEESBIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-16-6-2-3-7-17(16)19(21-20-15)24-12-10-22(11-13-24)14-18(25)23-8-4-5-9-23/h2-3,6-7H,4-5,8-14H2,1H3.
What are the key properties of 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 339.44 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 31921028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).