(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone

C17H22N2O2 — CID 119563968

IUPAC(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2oc3c(C)cccc3c2C)CC1
InChIInChI=1S/C17H22N2O2/c1-11-5-4-6-14-12(2)16(21-15(11)14)17(20)19-9-7-13(18-3)8-10-19/h4-6,13,18H,7-10H2,1-3H3
InChIKeyYACCBSQEYBRYFL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.87
Rot. Bonds2

About (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone

(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119563968) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119563968
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2oc3c(C)cccc3c2C)CC1
InChIInChI=1S/C17H22N2O2/c1-11-5-4-6-14-12(2)16(21-15(11)14)17(20)19-9-7-13(18-3)8-10-19/h4-6,13,18H,7-10H2,1-3H3
InChIKeyYACCBSQEYBRYFL-UHFFFAOYSA-N
XLogP2.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119664624
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560822
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823865
3-[(3S)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812466
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697653
N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide
CID 46592936
(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560716
N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 119482356
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539471
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
(3,7-dimethyl-1-benzofuran-2-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734280
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone
CID 120749012

Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119563968) is (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2oc3c(C)cccc3c2C)CC1.
What is the InChIKey of (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is YACCBSQEYBRYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-5-4-6-14-12(2)16(21-15(11)14)17(20)19-9-7-13(18-3)8-10-19/h4-6,13,18H,7-10H2,1-3H3.
What are the key properties of (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone?
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 286.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119563968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).