(3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone

C20H23FN4O2 — CID 91632728

IUPAC(3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cc1F
InChIInChI=1S/C20H23FN4O2/c1-27-18-7-6-15(12-16(18)21)20(26)25-10-8-24(9-11-25)19-13-14-4-2-3-5-17(14)22-23-19/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyCPMRXJKEXYSUQS-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.47
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone

(3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone (PubChem CID 91632728) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
PubChem CID91632728
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name(3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cc1F
InChIInChI=1S/C20H23FN4O2/c1-27-18-7-6-15(12-16(18)21)20(26)25-10-8-24(9-11-25)19-13-14-4-2-3-5-17(14)22-23-19/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyCPMRXJKEXYSUQS-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

Pirodavir
CID 71345
6-[4-(5-FLUORO-2-METHOXYBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11384819
(4-Butoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292477
4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422449
(4-(4-(4-Methoxyphenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891044
(4-(4-(3-Methoxyphenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891046
(R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthalazin-1-yl)phenyl acetate
CID 49862269
4-fluoro-N-[1-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 145960917
(4-(6-Aminopyridazin-3-yl)piperidin-1-yl)(4-(4-(trifluoromethyl)phenoxy)phenyl)methanone
CID 138377580
2-fluoro-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-3-yl}benzamide
CID 91887918
1-(4-Methoxyphenyl)-4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
CID 5308096
(4-Methoxyphenyl)-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone (CID 91632728) is (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The InChIKey is CPMRXJKEXYSUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-27-18-7-6-15(12-16(18)21)20(26)25-10-8-24(9-11-25)19-13-14-4-2-3-5-17(14)22-23-19/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone has a molecular weight of 370.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91632728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).