1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone

C16H20N2O2 — CID 63248546

IUPAC1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H20N2O2/c1-17-11-12-6-8-18(9-7-12)16(19)15-10-13-4-2-3-5-14(13)20-15/h2-5,10,12,17H,6-9,11H2,1H3
InChIKeyRUWIGWALPOTRAZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds3

About 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone

1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63248546) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63248546
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H20N2O2/c1-17-11-12-6-8-18(9-7-12)16(19)15-10-13-4-2-3-5-14(13)20-15/h2-5,10,12,17H,6-9,11H2,1H3
InChIKeyRUWIGWALPOTRAZ-UHFFFAOYSA-N
XLogP2.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 94221459
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71796785
(5,6-dimethyl-1-benzofuran-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612576
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63248546) is 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is RUWIGWALPOTRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-11-12-6-8-18(9-7-12)16(19)15-10-13-4-2-3-5-14(13)20-15/h2-5,10,12,17H,6-9,11H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 272.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63248546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).