2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine

C23H21N3O2 — CID 24732880

IUPAC2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(Oc3ccc(-c4cc5ccccc5o4)cc3)CC2)nc1
InChIInChI=1S/C23H21N3O2/c1-2-5-21-18(4-1)16-22(28-21)17-6-8-19(9-7-17)27-20-10-14-26(15-11-20)23-24-12-3-13-25-23/h1-9,12-13,16,20H,10-11,14-15H2
InChIKeyDPBSDIGDLIAMDP-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.94
Rot. Bonds4

About 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine

2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine (PubChem CID 24732880) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine
PubChem CID24732880
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(Oc3ccc(-c4cc5ccccc5o4)cc3)CC2)nc1
InChIInChI=1S/C23H21N3O2/c1-2-5-21-18(4-1)16-22(28-21)17-6-8-19(9-7-17)27-20-10-14-26(15-11-20)23-24-12-3-13-25-23/h1-9,12-13,16,20H,10-11,14-15H2
InChIKeyDPBSDIGDLIAMDP-UHFFFAOYSA-N
XLogP4.94
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 150504455
2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
CID 24732938
3-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]sulfonylbenzonitrile
CID 24732889
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 141119932
3-iodo-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxy-2H-indazole
CID 170414778
2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
CID 155569925
ethyl 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 4184370
2-[4-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]piperazin-1-yl]pyrimidine
CID 25476967

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine (CID 24732880) is 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine is c1cnc(N2CCC(Oc3ccc(-c4cc5ccccc5o4)cc3)CC2)nc1.
What is the InChIKey of 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine?
The InChIKey is DPBSDIGDLIAMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-5-21-18(4-1)16-22(28-21)17-6-8-19(9-7-17)27-20-10-14-26(15-11-20)23-24-12-3-13-25-23/h1-9,12-13,16,20H,10-11,14-15H2.
What are the key properties of 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine?
2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine has a molecular weight of 371.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 24732880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).