(3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide

C18H28N4O3 — CID 97496285

IUPAC(3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCC[C@@H](C(=O)N[C@@H]3CCOC(C)(C)C3)C2)nn1
InChIInChI=1S/C18H28N4O3/c1-18(2)11-14(8-10-25-18)19-17(23)13-5-4-9-22(12-13)15-6-7-16(24-3)21-20-15/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,19,23)/t13-,14-/m1/s1
InChIKeySHYPLNRBYSZPQU-ZIAGYGMSSA-N
MW348.45 g/mol
LogP1.78
Rot. Bonds4

About (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide

(3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 97496285) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
PubChem CID97496285
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCC[C@@H](C(=O)N[C@@H]3CCOC(C)(C)C3)C2)nn1
InChIInChI=1S/C18H28N4O3/c1-18(2)11-14(8-10-25-18)19-17(23)13-5-4-9-22(12-13)15-6-7-16(24-3)21-20-15/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,19,23)/t13-,14-/m1/s1
InChIKeySHYPLNRBYSZPQU-ZIAGYGMSSA-N
XLogP1.78
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71702861
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71709561
(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97264818
(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71701098
N-[(2-methoxyphenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71706569
(3S)-1-(6-methoxypyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97496309
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide (CID 97496285) is (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide is COc1ccc(N2CCC[C@@H](C(=O)N[C@@H]3CCOC(C)(C)C3)C2)nn1.
What is the InChIKey of (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is SHYPLNRBYSZPQU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-18(2)11-14(8-10-25-18)19-17(23)13-5-4-9-22(12-13)15-6-7-16(24-3)21-20-15/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,19,23)/t13-,14-/m1/s1.
What are the key properties of (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
(3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4R)-2,2-dimethyloxan-4-yl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97496285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).