1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

C23H30FN5O — CID 53004866

IUPAC1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C23H30FN5O/c24-20-8-6-18(7-9-20)21-10-11-22(27-26-21)29-15-4-5-19(17-29)23(30)25-12-16-28-13-2-1-3-14-28/h6-11,19H,1-5,12-17H2,(H,25,30)
InChIKeyVVHKODJRLZGJBG-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.10
Rot. Bonds6

About 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 53004866) has the molecular formula C23H30FN5O and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID53004866
Molecular FormulaC23H30FN5O
Molecular Weight411.53 g/mol
Exact Mass411.24
IUPAC Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C23H30FN5O/c24-20-8-6-18(7-9-20)21-10-11-22(27-26-21)29-15-4-5-19(17-29)23(30)25-12-16-28-13-2-1-3-14-28/h6-11,19H,1-5,12-17H2,(H,25,30)
InChIKeyVVHKODJRLZGJBG-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071326
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866325
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866322
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055758
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-3-carboxamide
CID 121071330
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025038
(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 98746052
(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882153
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (CID 53004866) is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is O=C(NCCN1CCCCC1)C1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1.
What is the InChIKey of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is VVHKODJRLZGJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O/c24-20-8-6-18(7-9-20)21-10-11-22(27-26-21)29-15-4-5-19(17-29)23(30)25-12-16-28-13-2-1-3-14-28/h6-11,19H,1-5,12-17H2,(H,25,30).
What are the key properties of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53004866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).