1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

C25H28N4O2 — CID 95114430

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1)c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-19(21-10-6-3-7-11-21)27-25(31)22-12-14-28(15-13-22)23-16-24(30)29(26-17-23)18-20-8-4-2-5-9-20/h2-11,16-17,19,22H,12-15,18H2,1H3,(H,27,31)/t19-/m0/s1
InChIKeyGWNWNJGXOZJARR-IBGZPJMESA-N
MW416.53 g/mol
LogP3.39
Rot. Bonds6

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 95114430) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID95114430
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1)c1ccccc1
InChIInChI=1S/C25H28N4O2/c1-19(21-10-6-3-7-11-21)27-25(31)22-12-14-28(15-13-22)23-16-24(30)29(26-17-23)18-20-8-4-2-5-9-20/h2-11,16-17,19,22H,12-15,18H2,1H3,(H,27,31)/t19-/m0/s1
InChIKeyGWNWNJGXOZJARR-IBGZPJMESA-N
XLogP3.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
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-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (CID 95114430) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1)c1ccccc1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is GWNWNJGXOZJARR-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N4O2/c1-19(21-10-6-3-7-11-21)27-25(31)22-12-14-28(15-13-22)23-16-24(30)29(26-17-23)18-20-8-4-2-5-9-20/h2-11,16-17,19,22H,12-15,18H2,1H3,(H,27,31)/t19-/m0/s1.
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 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-[(1S)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 95114430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).