(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C20H26N2O3 — CID 126800553

IUPAC(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1oc2ccccc2c1C(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C20H26N2O3/c1-15-19(17-6-2-3-7-18(17)25-15)20(23)22-8-4-5-16(14-22)13-21-9-11-24-12-10-21/h2-3,6-7,16H,4-5,8-14H2,1H3/t16-/m1/s1
InChIKeyUSUNGYCUYCLELT-MRXNPFEDSA-N
MW342.44 g/mol
LogP2.93
Rot. Bonds3

About (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 126800553) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID126800553
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1oc2ccccc2c1C(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C20H26N2O3/c1-15-19(17-6-2-3-7-18(17)25-15)20(23)22-8-4-5-16(14-22)13-21-9-11-24-12-10-21/h2-3,6-7,16H,4-5,8-14H2,1H3/t16-/m1/s1
InChIKeyUSUNGYCUYCLELT-MRXNPFEDSA-N
XLogP2.93
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
CID 110703112
4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
CID 172655374
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126803146
4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]chromen-2-one
CID 119397937
2-methyl-1-[2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91780645
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126809350
[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 166233138
(2,3-dimethyl-5-methylsulfonylphenyl)-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 154755820
[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119071651
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 126800553) is (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1oc2ccccc2c1C(=O)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is USUNGYCUYCLELT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-19(17-6-2-3-7-18(17)25-15)20(23)22-8-4-5-16(14-22)13-21-9-11-24-12-10-21/h2-3,6-7,16H,4-5,8-14H2,1H3/t16-/m1/s1.
What are the key properties of (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126800553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).