3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole

C15H16IN3O — CID 70231381

IUPAC3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole
SMILESIc1nn(CC2CCCNC2)c2c1ccc1occc12
InChIInChI=1S/C15H16IN3O/c16-15-12-3-4-13-11(5-7-20-13)14(12)19(18-15)9-10-2-1-6-17-8-10/h3-5,7,10,17H,1-2,6,8-9H2
InChIKeyYXIPLZJLHKGHDK-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.39
Rot. Bonds2

About 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole

3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole (PubChem CID 70231381) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole.

Molecular Properties

Compound Name3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole
PubChem CID70231381
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC Name3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole
SMILESIc1nn(CC2CCCNC2)c2c1ccc1occc12
InChIInChI=1S/C15H16IN3O/c16-15-12-3-4-13-11(5-7-20-13)14(12)19(18-15)9-10-2-1-6-17-8-10/h3-5,7,10,17H,1-2,6,8-9H2
InChIKeyYXIPLZJLHKGHDK-UHFFFAOYSA-N
XLogP3.39
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine
CID 117338299
N-(piperidin-3-ylmethyl)furo[3,2-c]pyridin-4-amine
CID 106535248
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
(3S)-3-[(4-iodopyrazol-1-yl)methyl]piperidine
CID 129369974
3-[(5-phenyltriazol-1-yl)methyl]piperidine
CID 115044790
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
4-[3-[1-(pyrrolidin-3-ylmethyl)pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
CID 45193318
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
3-(tetrazol-1-ylmethyl)piperidine
CID 82512096
6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one
CID 145201197
3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine
CID 121214022

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole?
The IUPAC name of 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole (CID 70231381) is 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole.
What is the SMILES notation for 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole?
The canonical SMILES for 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole is Ic1nn(CC2CCCNC2)c2c1ccc1occc12.
What is the InChIKey of 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole?
The InChIKey is YXIPLZJLHKGHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c16-15-12-3-4-13-11(5-7-20-13)14(12)19(18-15)9-10-2-1-6-17-8-10/h3-5,7,10,17H,1-2,6,8-9H2.
What are the key properties of 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole?
3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole has a molecular weight of 381.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole is sourced from PubChem (CID 70231381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).