(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone

C21H22N2O3 — CID 119374183

IUPAC(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)N3CCC(N)CC3)oc2c1
InChIInChI=1S/C21H22N2O3/c1-25-16-7-8-17-18(13-16)26-20(19(17)14-5-3-2-4-6-14)21(24)23-11-9-15(22)10-12-23/h2-8,13,15H,9-12,22H2,1H3
InChIKeyDNGOFWWZWQXJCH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.67
Rot. Bonds3

About (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone

(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone (PubChem CID 119374183) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone
PubChem CID119374183
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)N3CCC(N)CC3)oc2c1
InChIInChI=1S/C21H22N2O3/c1-25-16-7-8-17-18(13-16)26-20(19(17)14-5-3-2-4-6-14)21(24)23-11-9-15(22)10-12-23/h2-8,13,15H,9-12,22H2,1H3
InChIKeyDNGOFWWZWQXJCH-UHFFFAOYSA-N
XLogP3.67
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86878769
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 120817453
N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 167854184
6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551546
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 120947243
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70738903
(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone
CID 119375235
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 97155685
2-bromo-6-methoxy-3-phenyl-1-benzofuran
CID 21436790
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 56576859

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone (CID 119374183) is (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone is COc1ccc2c(-c3ccccc3)c(C(=O)N3CCC(N)CC3)oc2c1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone?
The InChIKey is DNGOFWWZWQXJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-16-7-8-17-18(13-16)26-20(19(17)14-5-3-2-4-6-14)21(24)23-11-9-15(22)10-12-23/h2-8,13,15H,9-12,22H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone?
(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 119374183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).