[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

C23H28FN3O2 — CID 53194100

IUPAC[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(F)cc2)CC3)CC1
InChIInChI=1S/C23H28FN3O2/c1-3-9-25-11-13-27(14-12-25)23(28)22-17(2)29-21-8-10-26(16-20(21)22)15-18-4-6-19(24)7-5-18/h3-7H,1,8-16H2,2H3
InChIKeyHFPRQIUFHZCQHQ-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.23
Rot. Bonds5

About [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 53194100) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID53194100
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(F)cc2)CC3)CC1
InChIInChI=1S/C23H28FN3O2/c1-3-9-25-11-13-27(14-12-25)23(28)22-17(2)29-21-8-10-26(16-20(21)22)15-18-4-6-19(24)7-5-18/h3-7H,1,8-16H2,2H3
InChIKeyHFPRQIUFHZCQHQ-UHFFFAOYSA-N
XLogP3.23
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-Benzylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 1245621
3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
CID 18108187
1-(Diphenylmethyl)-4-(2-methyl-3-furoyl)piperazine
CID 1293145
(4-Benzylpiperazin-1-yl)(2-methylfuran-3-yl)methanone
CID 716180
N-({1-[2-(4-fluorophenyl)ethyl]-3-piperidinyl}methyl)-N,2,5-trimethyl-3-furamide
CID 24791021
1-[1-(2,5-Dimethyl-3-furoyl)-3-piperidinyl]-4-(4-fluorophenyl)piperazine
CID 24791452
N-({1-[2-(4-methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N,2,5-trimethyl-3-furamide
CID 24818953
N-ethyl-N-({1-[2-(3-fluorophenyl)ethyl]-3-piperidinyl}methyl)-2-methyl-3-furamide
CID 45239530
5-(2-Fluorobenzyl)-2-methyl-N-[3-(2-methylpiperidino)propyl]-4-oxo-4,5-dihydrofuro[3,2-C]pyridine-3-carboxamide
CID 71838232
1-[4-(2,5-Dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
(2,5-Difluorophenyl)[1-(2,5-dimethyl-3-furoyl)piperidin-3-yl]methanone
CID 16190648
5-(4-fluorobenzyl)-2-methyl-N-[2-(1-pyrrolidinyl)ethyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide
CID 53194092

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (CID 53194100) is [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(F)cc2)CC3)CC1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is HFPRQIUFHZCQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-3-9-25-11-13-27(14-12-25)23(28)22-17(2)29-21-8-10-26(16-20(21)22)15-18-4-6-19(24)7-5-18/h3-7H,1,8-16H2,2H3.
What are the key properties of [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 397.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 53194100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).