4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one

C19H25N5O2 — CID 95123507

IUPAC4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cccc([C@H](C(=O)N2CCN(c3cn[nH]c(=O)c3)CC2)N(C)C)c1
InChIInChI=1S/C19H25N5O2/c1-14-5-4-6-15(11-14)18(22(2)3)19(26)24-9-7-23(8-10-24)16-12-17(25)21-20-13-16/h4-6,11-13,18H,7-10H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyXVVXGXODIFPWEN-GOSISDBHSA-N
MW355.44 g/mol
LogP1.03
Rot. Bonds4

About 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one

4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 95123507) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID95123507
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cccc([C@H](C(=O)N2CCN(c3cn[nH]c(=O)c3)CC2)N(C)C)c1
InChIInChI=1S/C19H25N5O2/c1-14-5-4-6-15(11-14)18(22(2)3)19(26)24-9-7-23(8-10-24)16-12-17(25)21-20-13-16/h4-6,11-13,18H,7-10H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyXVVXGXODIFPWEN-GOSISDBHSA-N
XLogP1.03
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 72881733
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 97193821
4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 97116910
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883
6-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97197313
4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136822759
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97202274
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 72849565
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 97125402
1-butyl-4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-2-one
CID 72871012
1-butyl-4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-2-one
CID 97123892
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
CID 95719715

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 95123507) is 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one is Cc1cccc([C@H](C(=O)N2CCN(c3cn[nH]c(=O)c3)CC2)N(C)C)c1.
What is the InChIKey of 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is XVVXGXODIFPWEN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-5-4-6-15(11-14)18(22(2)3)19(26)24-9-7-23(8-10-24)16-12-17(25)21-20-13-16/h4-6,11-13,18H,7-10H2,1-3H3,(H,21,25)/t18-/m1/s1.
What are the key properties of 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one?
4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 355.44 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 95123507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).