5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one

C22H28N4O2 — CID 91777949

IUPAC5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)C(c3ccccc3)C3CCCC3)CC2)cc1=O
InChIInChI=1S/C22H28N4O2/c1-24-20(27)15-19(16-23-24)25-11-13-26(14-12-25)22(28)21(18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,15-16,18,21H,5-6,9-14H2,1H3
InChIKeySTZWIWVWHNYZAX-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.40
Rot. Bonds4

About 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 91777949) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID91777949
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)C(c3ccccc3)C3CCCC3)CC2)cc1=O
InChIInChI=1S/C22H28N4O2/c1-24-20(27)15-19(16-23-24)25-11-13-26(14-12-25)22(28)21(18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,15-16,18,21H,5-6,9-14H2,1H3
InChIKeySTZWIWVWHNYZAX-UHFFFAOYSA-N
XLogP2.40
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91828791
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
CID 28909109
5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91776530
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
5-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91793828
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one
CID 97277077
4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid
CID 174510521
5-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 97206841
2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
CID 91774299
2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110413880

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 91777949) is 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(C(=O)C(c3ccccc3)C3CCCC3)CC2)cc1=O.
What is the InChIKey of 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is STZWIWVWHNYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-24-20(27)15-19(16-23-24)25-11-13-26(14-12-25)22(28)21(18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,15-16,18,21H,5-6,9-14H2,1H3.
What are the key properties of 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 380.49 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 91777949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).