1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide

C21H28N4O2 — CID 53202290

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C21H28N4O2/c1-3-23(4-2)21(27)18-10-12-24(13-11-18)19-14-20(26)25(22-15-19)16-17-8-6-5-7-9-17/h5-9,14-15,18H,3-4,10-13,16H2,1-2H3
InChIKeySUBAQJLZQMWTLK-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.38
Rot. Bonds6

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide (PubChem CID 53202290) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide
PubChem CID53202290
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C21H28N4O2/c1-3-23(4-2)21(27)18-10-12-24(13-11-18)19-14-20(26)25(22-15-19)16-17-8-6-5-7-9-17/h5-9,14-15,18H,3-4,10-13,16H2,1-2H3
InChIKeySUBAQJLZQMWTLK-UHFFFAOYSA-N
XLogP2.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.38
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,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide (CID 53202290) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is SUBAQJLZQMWTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-23(4-2)21(27)18-10-12-24(13-11-18)19-14-20(26)25(22-15-19)16-17-8-6-5-7-9-17/h5-9,14-15,18H,3-4,10-13,16H2,1-2H3.
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.38, 6 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,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 53202290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).