1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide

C19H31N5O — CID 95846984

IUPAC1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(C)N1CCC[C@H](Cc2ccc(N3CCC(C(N)=O)CC3)nn2)C1
InChIInChI=1S/C19H31N5O/c1-14(2)24-9-3-4-15(13-24)12-17-5-6-18(22-21-17)23-10-7-16(8-11-23)19(20)25/h5-6,14-16H,3-4,7-13H2,1-2H3,(H2,20,25)/t15-/m1/s1
InChIKeyZOMJYAHHEFQWJG-OAHLLOKOSA-N
MW345.49 g/mol
LogP1.84
Rot. Bonds5

About 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide

1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 95846984) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID95846984
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(C)N1CCC[C@H](Cc2ccc(N3CCC(C(N)=O)CC3)nn2)C1
InChIInChI=1S/C19H31N5O/c1-14(2)24-9-3-4-15(13-24)12-17-5-6-18(22-21-17)23-10-7-16(8-11-23)19(20)25/h5-6,14-16H,3-4,7-13H2,1-2H3,(H2,20,25)/t15-/m1/s1
InChIKeyZOMJYAHHEFQWJG-OAHLLOKOSA-N
XLogP1.84
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide (CID 95846984) is 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide is CC(C)N1CCC[C@H](Cc2ccc(N3CCC(C(N)=O)CC3)nn2)C1.
What is the InChIKey of 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is ZOMJYAHHEFQWJG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14(2)24-9-3-4-15(13-24)12-17-5-6-18(22-21-17)23-10-7-16(8-11-23)19(20)25/h5-6,14-16H,3-4,7-13H2,1-2H3,(H2,20,25)/t15-/m1/s1.
What are the key properties of 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide?
1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 95846984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).