(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C25H28N4O — CID 30351004

IUPAC(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1
InChIInChI=1S/C25H28N4O/c1-18(2)19-10-12-22(13-11-19)26-25(30)21-9-6-16-29(17-21)24-15-14-23(27-28-24)20-7-4-3-5-8-20/h3-5,7-8,10-15,18,21H,6,9,16-17H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyFRDHXSQCUBTAGL-NRFANRHFSA-N
MW400.53 g/mol
LogP5.12
Rot. Bonds5

About (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 30351004) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID30351004
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1
InChIInChI=1S/C25H28N4O/c1-18(2)19-10-12-22(13-11-19)26-25(30)21-9-6-16-29(17-21)24-15-14-23(27-28-24)20-7-4-3-5-8-20/h3-5,7-8,10-15,18,21H,6,9,16-17H2,1-2H3,(H,26,30)/t21-/m0/s1
InChIKeyFRDHXSQCUBTAGL-NRFANRHFSA-N
XLogP5.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071550
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071260
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 30351004) is (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1.
What is the InChIKey of (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is FRDHXSQCUBTAGL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18(2)19-10-12-22(13-11-19)26-25(30)21-9-6-16-29(17-21)24-15-14-23(27-28-24)20-7-4-3-5-8-20/h3-5,7-8,10-15,18,21H,6,9,16-17H2,1-2H3,(H,26,30)/t21-/m0/s1.
What are the key properties of (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 30351004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).