N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

C24H28N4OS — CID 121071376

IUPACN-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCCN(c2ccc(-c3cccs3)nn2)C1
InChIInChI=1S/C24H28N4OS/c1-18(11-12-19-7-3-2-4-8-19)25-24(29)20-9-5-15-28(17-20)23-14-13-21(26-27-23)22-10-6-16-30-22/h2-4,6-8,10,13-14,16,18,20H,5,9,11-12,15,17H2,1H3,(H,25,29)
InChIKeyICHDEKGFXGYFJV-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.56
Rot. Bonds7

About N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121071376) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121071376
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCCN(c2ccc(-c3cccs3)nn2)C1
InChIInChI=1S/C24H28N4OS/c1-18(11-12-19-7-3-2-4-8-19)25-24(29)20-9-5-15-28(17-20)23-14-13-21(26-27-23)22-10-6-16-30-22/h2-4,6-8,10,13-14,16,18,20H,5,9,11-12,15,17H2,1H3,(H,25,29)
InChIKeyICHDEKGFXGYFJV-UHFFFAOYSA-N
XLogP4.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071407
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 71805072
(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 41015611
(3R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 97104664
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071245
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071367
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121119421
N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071421
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90545446
1-(6-methylpyridazin-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 121118677
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071371
1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
CID 56770286

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121071376) is N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is CC(CCc1ccccc1)NC(=O)C1CCCN(c2ccc(-c3cccs3)nn2)C1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is ICHDEKGFXGYFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-18(11-12-19-7-3-2-4-8-19)25-24(29)20-9-5-15-28(17-20)23-14-13-21(26-27-23)22-10-6-16-30-22/h2-4,6-8,10,13-14,16,18,20H,5,9,11-12,15,17H2,1H3,(H,25,29).
What are the key properties of N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121071376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).