N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

C21H25N5O3 — CID 53004697

IUPACN-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C21H25N5O3/c1-14-19-15(2)29-24-20(19)21(28)26(23-14)13-18(27)22-17-8-10-25(11-9-17)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,22,27)
InChIKeyIEHYCCPALSKDTP-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.78
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (PubChem CID 53004697) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
PubChem CID53004697
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C21H25N5O3/c1-14-19-15(2)29-24-20(19)21(28)26(23-14)13-18(27)22-17-8-10-25(11-9-17)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,22,27)
InChIKeyIEHYCCPALSKDTP-UHFFFAOYSA-N
XLogP1.78
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide 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

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[3,4-c][1,2]oxazol-6-yl]butan-1-one
CID 23645936
N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127040522
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209090
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209092
6-allyl-3-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
CID 1487437
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24794134
N-(1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3240699
2-(4-{4-[2-(3,5-Dimethyl-isoxazol-4-yl)-acetylamino]-2-fluoro-phenyl}-piperazin-1-yl)-N,N-diethyl-2-phenyl-acetamide
CID 16667181
(3S,6S)-6-(4-fluorophenyl)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-piperazin-2-one
CID 60141394
(3S,6S)-6-(2-fluorophenyl)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-piperazin-2-one
CID 60141396
(3S,6S)-6-(3-fluorophenyl)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutylpiperazin-2-one
CID 60141539
(3S,6S)-4-(5-(4-Fluorophenyl)isoxazole-3-carbonyl)-3,6-diisobutylpiperazin-2-one
CID 60142635

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide (CID 53004697) is N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is Cc1nn(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2noc(C)c12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
The InChIKey is IEHYCCPALSKDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-19-15(2)29-24-20(19)21(28)26(23-14)13-18(27)22-17-8-10-25(11-9-17)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,22,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 53004697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).