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

C25H32FN3O2 — CID 91912776

IUPAC(4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone
SMILESCc1oc2c(c1C(=O)N1CCN(C3CCCC3)CC1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C25H32FN3O2/c1-18-24(25(30)29-13-11-28(12-14-29)21-7-2-3-8-21)22-17-27(10-9-23(22)31-18)16-19-5-4-6-20(26)15-19/h4-6,15,21H,2-3,7-14,16-17H2,1H3
InChIKeyCFDVGWBGZSOQBJ-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.99
Rot. Bonds4

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

(4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone (PubChem CID 91912776) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone
PubChem CID91912776
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone
SMILESCc1oc2c(c1C(=O)N1CCN(C3CCCC3)CC1)CN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C25H32FN3O2/c1-18-24(25(30)29-13-11-28(12-14-29)21-7-2-3-8-21)22-17-27(10-9-23(22)31-18)16-19-5-4-6-20(26)15-19/h4-6,15,21H,2-3,7-14,16-17H2,1H3
InChIKeyCFDVGWBGZSOQBJ-UHFFFAOYSA-N
XLogP3.99
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone (CID 91912776) is (4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone is Cc1oc2c(c1C(=O)N1CCN(C3CCCC3)CC1)CN(Cc1cccc(F)c1)CC2.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone?
The InChIKey is CFDVGWBGZSOQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-18-24(25(30)29-13-11-28(12-14-29)21-7-2-3-8-21)22-17-27(10-9-23(22)31-18)16-19-5-4-6-20(26)15-19/h4-6,15,21H,2-3,7-14,16-17H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone has a molecular weight of 425.55 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl]methanone is sourced from PubChem (CID 91912776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).