1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide

C22H30N4O2 — CID 53202269

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C22H30N4O2/c1-3-4-12-24(2)22(28)19-10-13-25(14-11-19)20-15-21(27)26(23-16-20)17-18-8-6-5-7-9-18/h5-9,15-16,19H,3-4,10-14,17H2,1-2H3
InChIKeyVRUXJLZKIQEUHR-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.77
Rot. Bonds7

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide (PubChem CID 53202269) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide
PubChem CID53202269
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C22H30N4O2/c1-3-4-12-24(2)22(28)19-10-13-25(14-11-19)20-15-21(27)26(23-16-20)17-18-8-6-5-7-9-18/h5-9,15-16,19H,3-4,10-14,17H2,1-2H3
InChIKeyVRUXJLZKIQEUHR-UHFFFAOYSA-N
XLogP2.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide (CID 53202269) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide?
The InChIKey is VRUXJLZKIQEUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-4-12-24(2)22(28)19-10-13-25(14-11-19)20-15-21(27)26(23-16-20)17-18-8-6-5-7-9-18/h5-9,15-16,19H,3-4,10-14,17H2,1-2H3.
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-butyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 53202269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).