N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide

C20H26N4O2 — CID 91911804

IUPACN-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C20H26N4O2/c1-15(2)20(26)22-17-8-10-23(11-9-17)18-12-19(25)24(21-13-18)14-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,22,26)
InChIKeyHCJAVJJMEJBBFB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.03
Rot. Bonds5

About N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide

N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 91911804) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
PubChem CID91911804
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C20H26N4O2/c1-15(2)20(26)22-17-8-10-23(11-9-17)18-12-19(25)24(21-13-18)14-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,22,26)
InChIKeyHCJAVJJMEJBBFB-UHFFFAOYSA-N
XLogP2.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide
CID 53202291
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
CID 91911806
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95114431
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95114430
1-(1-benzyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048542
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzylpyridazin-3-one
CID 53202307
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 53202309
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53202272
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 95114443
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 91911776
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53202240
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95115735

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide (CID 91911804) is N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is HCJAVJJMEJBBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)20(26)22-17-8-10-23(11-9-17)18-12-19(25)24(21-13-18)14-16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 91911804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).