(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C20H32N2O3 — CID 97133757

IUPAC(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1oc(C(C)C)cc1C(=O)N1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C20H32N2O3/c1-15(2)19-14-18(16(3)25-19)20(23)22-8-5-4-6-17(22)7-9-21-10-12-24-13-11-21/h14-15,17H,4-13H2,1-3H3/t17-/m1/s1
InChIKeyVPWLWUFKQFZRIP-QGZVFWFLSA-N
MW348.49 g/mol
LogP3.43
Rot. Bonds5

About (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 97133757) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID97133757
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1oc(C(C)C)cc1C(=O)N1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C20H32N2O3/c1-15(2)19-14-18(16(3)25-19)20(23)22-8-5-4-6-17(22)7-9-21-10-12-24-13-11-21/h14-15,17H,4-13H2,1-3H3/t17-/m1/s1
InChIKeyVPWLWUFKQFZRIP-QGZVFWFLSA-N
XLogP3.43
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methyl-5-propan-2-ylfuran-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133758
N-[[(2R)-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 124883784
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
(5-methyl-1H-pyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70778532
(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70752772
(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 53193426
(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97109668
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97123946
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
(2-ethylpyrimidin-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97121729
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 118787843

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 97133757) is (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is Cc1oc(C(C)C)cc1C(=O)N1CCCC[C@@H]1CCN1CCOCC1.
What is the InChIKey of (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is VPWLWUFKQFZRIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15(2)19-14-18(16(3)25-19)20(23)22-8-5-4-6-17(22)7-9-21-10-12-24-13-11-21/h14-15,17H,4-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 348.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97133757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).