(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

C16H22N2O2 — CID 110472085

IUPAC(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H22N2O2/c1-13-4-2-3-5-15(13)16(19)18-7-6-14(12-18)17-8-10-20-11-9-17/h2-5,14H,6-12H2,1H3
InChIKeyRHBAFZUCSSYHSN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.54
Rot. Bonds2

About (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 110472085) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID110472085
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H22N2O2/c1-13-4-2-3-5-15(13)16(19)18-7-6-14(12-18)17-8-10-20-11-9-17/h2-5,14H,6-12H2,1H3
InChIKeyRHBAFZUCSSYHSN-UHFFFAOYSA-N
XLogP1.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-3-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63527838
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 136512721
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
2-methyl-3-[(3S)-3-morpholin-4-ylazepane-1-carbonyl]benzoic acid
CID 166275818
3-[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726885
3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 107112174
(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 106993823
(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
CID 97343511
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 110472085) is (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is Cc1ccccc1C(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is RHBAFZUCSSYHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-4-2-3-5-15(13)16(19)18-7-6-14(12-18)17-8-10-20-11-9-17/h2-5,14H,6-12H2,1H3.
What are the key properties of (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110472085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).