4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid

C24H31N3O5 — CID 172630238

IUPAC4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid
SMILESCOCOc1ccccc1-c1cc(N2CCC(OC3CCCCC3)(C(=O)O)CC2)cnn1
InChIInChI=1S/C24H31N3O5/c1-30-17-31-22-10-6-5-9-20(22)21-15-18(16-25-26-21)27-13-11-24(12-14-27,23(28)29)32-19-7-3-2-4-8-19/h5-6,9-10,15-16,19H,2-4,7-8,11-14,17H2,1H3,(H,28,29)
InChIKeyARIRVPPWIUUSKK-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.90
Rot. Bonds8

About 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid

4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid (PubChem CID 172630238) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid
PubChem CID172630238
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid
SMILESCOCOc1ccccc1-c1cc(N2CCC(OC3CCCCC3)(C(=O)O)CC2)cnn1
InChIInChI=1S/C24H31N3O5/c1-30-17-31-22-10-6-5-9-20(22)21-15-18(16-25-26-21)27-13-11-24(12-14-27,23(28)29)32-19-7-3-2-4-8-19/h5-6,9-10,15-16,19H,2-4,7-8,11-14,17H2,1H3,(H,28,29)
InChIKeyARIRVPPWIUUSKK-UHFFFAOYSA-N
XLogP3.90
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-[5-(4-formyl-4-phenylpiperidin-1-yl)pyridazin-3-yl]phenyl] hydrogen sulfate
CID 172630195
1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid
CID 172630146
methyl 1-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]-4-methylpiperidine-4-carboxylate
CID 172630372
tert-butyl 4-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]-5-fluoropyrazol-1-yl]piperidine-1-carboxylate
CID 170624642
tert-butyl 4-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]-3-fluoropyrazol-1-yl]piperidine-1-carboxylate
CID 170625844
1-cyclopentyloxycyclohexane-1-carboxylic acid
CID 82236545
4-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204
benzyl 4-[(10S)-4-[2-(methoxymethoxy)phenyl]-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]piperidine-1-carboxylate
CID 166459641
4-[4-[4-[(10S)-4-[2-(methoxymethoxy)phenyl]-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]piperidin-1-yl]piperidin-1-yl]-2-methylbenzoic acid
CID 170438705
4-(8-benzyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine
CID 176564021
tert-butyl 4-[3-[9-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxypiperidine-1-carboxylate
CID 168903011
3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine
CID 167634404

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid (CID 172630238) is 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid is COCOc1ccccc1-c1cc(N2CCC(OC3CCCCC3)(C(=O)O)CC2)cnn1.
What is the InChIKey of 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is ARIRVPPWIUUSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-30-17-31-22-10-6-5-9-20(22)21-15-18(16-25-26-21)27-13-11-24(12-14-27,23(28)29)32-19-7-3-2-4-8-19/h5-6,9-10,15-16,19H,2-4,7-8,11-14,17H2,1H3,(H,28,29).
What are the key properties of 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid?
4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 441.53 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 172630238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).