(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C15H16ClN3O2 — CID 106686183

IUPAC(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C15H16ClN3O2/c16-14-13(3-10-21-14)15(20)19-8-6-18(7-9-19)11-12-1-4-17-5-2-12/h1-5,10H,6-9,11H2
InChIKeyADDLZUONWQFKLD-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.29
Rot. Bonds3

About (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 106686183) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID106686183
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C15H16ClN3O2/c16-14-13(3-10-21-14)15(20)19-8-6-18(7-9-19)11-12-1-4-17-5-2-12/h1-5,10H,6-9,11H2
InChIKeyADDLZUONWQFKLD-UHFFFAOYSA-N
XLogP2.29
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylfuran-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70727890
(2,5-dichlorothiophen-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856983
(2-chlorofuran-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106685702
(2-chlorofuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 106686399
(2-chloro-5-methylsulfanylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856726
(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856697
(2-chloro-4,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70724703
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-bromophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 52988481
1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one
CID 106686783
(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78833649

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 106686183) is (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccoc1Cl)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ADDLZUONWQFKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-14-13(3-10-21-14)15(20)19-8-6-18(7-9-19)11-12-1-4-17-5-2-12/h1-5,10H,6-9,11H2.
What are the key properties of (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 305.76 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 106686183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).