(3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H19N3O2 — CID 1247011

IUPAC(3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12
InChIInChI=1S/C19H19N3O2/c1-14-15-6-2-3-7-16(15)24-18(14)19(23)22-12-10-21(11-13-22)17-8-4-5-9-20-17/h2-9H,10-13H2,1H3
InChIKeyDTAFSRUOXCWTIO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.10
Rot. Bonds2

About (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 1247011) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID1247011
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12
InChIInChI=1S/C19H19N3O2/c1-14-15-6-2-3-7-16(15)24-18(14)19(23)22-12-10-21(11-13-22)17-8-4-5-9-20-17/h2-9H,10-13H2,1H3
InChIKeyDTAFSRUOXCWTIO-UHFFFAOYSA-N
XLogP3.10
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bradanicline
CID 25147644
Afn-1252
CID 10407120
Afabicin
CID 72696796
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
N-(3-chloropyridin-2-yl)-1-benzofuran-2-carboxamide
CID 949440
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enamide
CID 23658205
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 49848635
N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 162763857
1-(3-Methyl-benzofuran-2-carbonyl)-3-(3-methyl-pyridin-2-yl)-thiourea
CID 741781
N-Methyl-N-[(3-Methyl-1-Benzofuran-2-Yl)methyl]-3-(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-3-Yl)propanamide
CID 57576874
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 1247011) is (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DTAFSRUOXCWTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-15-6-2-3-7-16(15)24-18(14)19(23)22-12-10-21(11-13-22)17-8-4-5-9-20-17/h2-9H,10-13H2,1H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1247011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).