4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide

C20H23N3O2 — CID 11515570

IUPAC4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C20H23N3O2/c24-20(21-18-4-2-1-3-5-18)23-11-9-22(10-12-23)15-16-6-7-19-17(14-16)8-13-25-19/h1-7,14H,8-13,15H2,(H,21,24)
InChIKeyGKJFQVQXECTQMF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.97
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide

4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 11515570) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
PubChem CID11515570
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C20H23N3O2/c24-20(21-18-4-2-1-3-5-18)23-11-9-22(10-12-23)15-16-6-7-19-17(14-16)8-13-25-19/h1-7,14H,8-13,15H2,(H,21,24)
InChIKeyGKJFQVQXECTQMF-UHFFFAOYSA-N
XLogP2.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide (CID 11515570) is 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is GKJFQVQXECTQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(21-18-4-2-1-3-5-18)23-11-9-22(10-12-23)15-16-6-7-19-17(14-16)8-13-25-19/h1-7,14H,8-13,15H2,(H,21,24).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide?
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11515570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).