(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide

C19H22N4O4 — CID 95985903

IUPAC(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
SMILESCn1nc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)ccc1=O
InChIInChI=1S/C19H22N4O4/c1-22-18(24)7-6-17(21-22)23-8-2-3-14(11-23)19(25)20-10-13-4-5-15-16(9-13)27-12-26-15/h4-7,9,14H,2-3,8,10-12H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyDFGOVAZVQSWZGA-CQSZACIVSA-N
MW370.41 g/mol
LogP1.04
Rot. Bonds4

About (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 95985903) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
PubChem CID95985903
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
SMILESCn1nc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)ccc1=O
InChIInChI=1S/C19H22N4O4/c1-22-18(24)7-6-17(21-22)23-8-2-3-14(11-23)19(25)20-10-13-4-5-15-16(9-13)27-12-26-15/h4-7,9,14H,2-3,8,10-12H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyDFGOVAZVQSWZGA-CQSZACIVSA-N
XLogP1.04
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide 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

N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118410
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888296
1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 71795251
N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 20958285
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 71795272
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 7407403
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 50819407
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 92696285
1-[4-(azepan-1-yl)-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-yl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea
CID 100791536
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 122262582
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 4876339

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide (CID 95985903) is (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide is Cn1nc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)ccc1=O.
What is the InChIKey of (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is DFGOVAZVQSWZGA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22-18(24)7-6-17(21-22)23-8-2-3-14(11-23)19(25)20-10-13-4-5-15-16(9-13)27-12-26-15/h4-7,9,14H,2-3,8,10-12H2,1H3,(H,20,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide?
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95985903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).