N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

C19H24N4O2 — CID 53202110

IUPACN-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C19H24N4O2/c1-21(14-15-6-4-3-5-7-15)19(25)16-8-10-23(11-9-16)17-12-18(24)22(2)20-13-17/h3-7,12-13,16H,8-11,14H2,1-2H3
InChIKeyJRQLNHMANJNOEB-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.66
Rot. Bonds4

About N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202110) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202110
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C19H24N4O2/c1-21(14-15-6-4-3-5-7-15)19(25)16-8-10-23(11-9-16)17-12-18(24)22(2)20-13-17/h3-7,12-13,16H,8-11,14H2,1-2H3
InChIKeyJRQLNHMANJNOEB-UHFFFAOYSA-N
XLogP1.66
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (CID 53202110) is N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is JRQLNHMANJNOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21(14-15-6-4-3-5-7-15)19(25)16-8-10-23(11-9-16)17-12-18(24)22(2)20-13-17/h3-7,12-13,16H,8-11,14H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).