3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide

C16H26N4O2 — CID 91924031

IUPAC3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCn1ncc(N2CCC(NC(=O)CC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C16H26N4O2/c1-16(2,3)10-14(21)18-12-5-7-20(8-6-12)13-9-15(22)19(4)17-11-13/h9,11-12H,5-8,10H2,1-4H3,(H,18,21)
InChIKeyPKSZOYULXPNMDF-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.30
Rot. Bonds3

About 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide

3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (PubChem CID 91924031) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
PubChem CID91924031
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCn1ncc(N2CCC(NC(=O)CC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C16H26N4O2/c1-16(2,3)10-14(21)18-12-5-7-20(8-6-12)13-9-15(22)19(4)17-11-13/h9,11-12H,5-8,10H2,1-4H3,(H,18,21)
InChIKeyPKSZOYULXPNMDF-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-cyclopentyl-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202029
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202065
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (CID 91924031) is 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is Cn1ncc(N2CCC(NC(=O)CC(C)(C)C)CC2)cc1=O.
What is the InChIKey of 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The InChIKey is PKSZOYULXPNMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)10-14(21)18-12-5-7-20(8-6-12)13-9-15(22)19(4)17-11-13/h9,11-12H,5-8,10H2,1-4H3,(H,18,21).
What are the key properties of 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is sourced from PubChem (CID 91924031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).