N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C22H28FN5O — CID 50771874

IUPACN-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C22H28FN5O/c23-19-6-4-17(5-7-19)16-24-22(29)18-10-14-28(15-11-18)21-9-8-20(25-26-21)27-12-2-1-3-13-27/h4-9,18H,1-3,10-16H2,(H,24,29)
InChIKeyRUYRSBBVWAAGMO-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.14
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771874) has the molecular formula C22H28FN5O and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771874
Molecular FormulaC22H28FN5O
Molecular Weight397.50 g/mol
Exact Mass397.23
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C22H28FN5O/c23-19-6-4-17(5-7-19)16-24-22(29)18-10-14-28(15-11-18)21-9-8-20(25-26-21)27-12-2-1-3-13-27/h4-9,18H,1-3,10-16H2,(H,24,29)
InChIKeyRUYRSBBVWAAGMO-UHFFFAOYSA-N
XLogP3.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422380
2,2,2-trifluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7422381
N-(3-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7422384
N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593164
N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593463
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyridazin-3-ylpiperidin-4-yl)methanone
CID 134521326
2,2,2-trifluoro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 7422385
2,2,2-trifluoro-N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)acetamide
CID 7593464
N-(4-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593428
N-(4-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593476
US10138230, Example F178
CID 122445983
N-({1-[(4-Fluorophenyl)methyl]piperidin-4-YL}methyl)-3-[6-(piperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamide
CID 20904083

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771874) is N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is RUYRSBBVWAAGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O/c23-19-6-4-17(5-7-19)16-24-22(29)18-10-14-28(15-11-18)21-9-8-20(25-26-21)27-12-2-1-3-13-27/h4-9,18H,1-3,10-16H2,(H,24,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).