[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone

C22H25N3O2 — CID 24817440

IUPAC[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCN(Cc4ccccn4)CC3)oc2c1C
InChIInChI=1S/C22H25N3O2/c1-15-7-8-19-17(3)21(27-20(19)16(15)2)22(26)25-12-10-24(11-13-25)14-18-6-4-5-9-23-18/h4-9H,10-14H2,1-3H3
InChIKeyVLCDCLDPRRNTQW-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.71
Rot. Bonds3

About [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone

[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone (PubChem CID 24817440) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
PubChem CID24817440
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCN(Cc4ccccn4)CC3)oc2c1C
InChIInChI=1S/C22H25N3O2/c1-15-7-8-19-17(3)21(27-20(19)16(15)2)22(26)25-12-10-24(11-13-25)14-18-6-4-5-9-23-18/h4-9H,10-14H2,1-3H3
InChIKeyVLCDCLDPRRNTQW-UHFFFAOYSA-N
XLogP3.71
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bradanicline
CID 25147644
5-(2-Morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((S)-3-methyl-1-{(S)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide
CID 5287549
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
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-[2-(dimethylamino)ethyl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 135581547
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 24791600
3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 975422
N-[(5-methylpyrazin-2-yl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 9910626
5-{(1S)-2-[(2r)-4-benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy}isoquinoline-1-carboxylic acid methylamide
CID 11605001
CID 16727410
CID 16727410

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone (CID 24817440) is [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone is Cc1ccc2c(C)c(C(=O)N3CCN(Cc4ccccn4)CC3)oc2c1C.
What is the InChIKey of [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is VLCDCLDPRRNTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-7-8-19-17(3)21(27-20(19)16(15)2)22(26)25-12-10-24(11-13-25)14-18-6-4-5-9-23-18/h4-9H,10-14H2,1-3H3.
What are the key properties of [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 24817440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).